Protein profile

PA2424

peptide synthase

Genome: NC_002516.2

Gene: pvdL PA2424 Structure source: Unavailable UniProt Q9I157

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Amino acids 4342

Annotations 11

Features 165

PDB binders 14

Overview

Basic information about this protein and its source genome.

Accession: PA2424
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: pvdL PA2424
Status: annotated
Amino acids: 4342
Structure source: Unavailable

GO:0003824 Catalysis of a biochemical reaction at physiological temperatures. In biologically catalyzed reactions, the reactants are known as substrates, and the catalysts are naturally occurring macromolecular substances known as enzymes. Enzymes possess specific binding sites for substrates, and are usually composed wholly or largely of protein, but RNA that has catalytic activity (ribozyme) is often also regarded as enzymatic. GO:0016874 Catalysis of the joining of two molecules, or two groups within a single molecule, using the energy from the hydrolysis of ATP, a similar triphosphate, or a pH gradient. GO:0031177 Binding to phosphopantetheine, the vitamin pantetheine 4'-(dihydrogen phosphate). GO:0016740 Catalysis of the transfer of a group, e.g. a methyl group, glycosyl group, acyl group, phosphorus-containing, or other groups, from one compound (generally regarded as the donor) to another compound (generally regarded as the acceptor). Transferase is the systematic name for any enzyme of EC class 2. GO:0071766 A cellular process that results in the biosynthesis of constituent macromolecules, assembly, and arrangement of constituent parts of a cell wall of the type found in Actinobacteria. The cell wall is the rigid or semi-rigid envelope lying outside the cell membrane. Actinobacterial cell walls contain characteristic mycolic acids, of which some are covalently linked to the cell wall peptidoglycan and others accumulate at the cell surface. GO:0043041 Activation of an amino acid for incorporation into a peptide by a nonribosomal process.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 39.744
Human E-value: 1.45e-06
Gut microbiome off-target: hit
Essential (DEG): N
Localization: Unknown

Sequence

Primary amino-acid sequence viewer.

MMDAFELPTTLVQALRRRAVQEPERLALRFLAEDDGEGVVLSYRDLDLRARSIAAALQAHAQLGDRAVLLFPSGPDYVAAFFGCLYAGVIAVPAYPPESARRHHQERLLSIIADAEPRLVLTTADLREPLLQMNAQLSAANAPQLLCVDQLDPAVAEAWDEPQVRPEHIAFLQYTSGSTALPKGVQVSHGNLVANEVLIRRGFGIGADDVIVSWLPLYHDMGLIGGLLQPIFSGVPCVLMSPRYFLERPVRWLEAISQYGGTVSGGPDFAYRLCSERVAESALQRLDLSGWRVAFSGSEPIRQDSLERFAEKFAASRFDASSFFACYGLAEATLFVTGGQRGQGIPALAVDGEALARNRIAEGEGSVLMCCGRSQPEHAVLIVDAASGEVLGDDNVGEIWAAGPSIAHGYWRNPEASAKAFVERDGRTWLRTGDLGFLRDGELFVTGRLKDMLIVRGHNLYPQDIERTVESEVPSARKGRVAAFAVTVDGEEGIGIAAEIGRGVQKSVPAQELIDSIRQAVAEAYQEAPKVVALLNPGALPKTSSGKLQRSACRLRLEDGSLDSYALFPGLQAVQEAQPPAGDDELLARIGEIWKARLGVAQVAPRDHFFLLGGNSIGAAQVVAQVRDSLGVALDLRQLFEAPTLQAFSATVARQLAAGLPAEAPMAHLPRGVDLPQSAAQQRLWLTWQIDPQSAAYNIPGGLRLRGELDEAALRASFQRLVERHEALRTRFLERDGAALQRIDERGEFAWQFVDLAALAEHERAAAAAQRREAEAQQPFDLEKGPLLRVSLVRLDEQEHQLWVTLHHIVADGWSLNLLLDEFSRLYAEACGGQPADLAPLELHYAEFAAWQRQWLDAGEGARQLAYWRERLGDTAPVLELATDHPRTARQASPAARYSLRVDEALARAIREAALDHEASVFMWLLAAFQALLHRHSGQGEIRIGVPSANRQRLETQGLVGFFINTLVLRGTPRARQPFAALLGEAREATLGAQANQDLPFDQVLAACGQGGQLFQVLFNHQQRDLSALRRLPGLLADELPWHSREAKFDLQLQSEEDARGRLTLNFDYAADLFDEASIRRFAAQYLELLRQVAEDPQRCLGDIALVDAEQAAHLAEWGSAPCEPARAWLPELLERQLAQSAERVALEWDGGSLGYAELHARANRLAHYLRDKGVGPDVRVAICAERSPQLLVGLLAIVKAGGAYVPLDPDYPSERLAYMLADSGVELLLTQAHLFERLPGAEGVTPICLDSLKLDNWPSQAPGLHLHGDNLAYVIYTSGSTGQPKGVGNTHAALAERLQWMQATYTLDGDDVLMQKAPVSFDVSVWECFWPLVTGCRLVLAAPGEHRDPARLVELVRQFGVTTLHFVPPLLQLFIDEPGVAACGSLRRLFSGGEALPAELRNRVLQRLPAVALHNRYGPTETAINVTHWQCRAEDGERSPIGRPLGNVVCRVLDAEFNLLPAGVAGELCIGGLGLARGYLGRPALSAERFVADPFSAAGERLYRTGDRARWNADGVLEYLGRLDQQVKLRGFRIEPEEIQARLLAQPGVAQAVVVIREGVAGSQLVGYYTGAVGAEAEAEQNQRLRAALQAELPEYMVPTQLMRLAQMPLGPSGKLDTRALPEPVWQQREHVEPRTELQRRIAAIWSEVLGLPRVGLRDDFFELGGHSLLATRIVSRTRQACDVELPLRALFEASELEAFCEQVRAAQAAGRTDSHGAIRRIDREQPVPLSYSQQRMWFLWQLEPDSPAYNVGGLARLSGPLDVARFEAALQALVQRHETLRTTFPSVDGVPVQRVHGDGGLHMDWQDFSALDRDSRQQHLQTLADSEAHRPFDLESGPLLRVCMVKMAEREHYLVVTLHHIVTEGWAMDIFARELGALYEAFLDDRESPLEPLPVQYLDYSVWQREWLESGERQRQLDYWKAQLGNEHPLLELPGDRPRPPVQSHQGDLYRFDLSPELAERVRRFNAARGLTMFMTMTATLAALLYRYSGQQDLRIGAPVANRIRPESEGLIGAFLNTQVLRCRLDGQMSVGELLEQVRQTVIDGQSHQDLPFDHLVEALQPPRSAAYNPLFQVMCNVQRWEFQQTRQLAGMTVEYIANDARATKFDLNLEVTDLDQRLGCCLTYSRDLFDEPRIARMAGHWQNLLEALLGDPQRRIAELPLFAAEERKQLLLAGTAGEAGLQDTLHGLFAARVAASPQAPALTFAGQTLSYAELDARSNRLARVLRSHGVGPEVRVGLALERSLEMVVGLLAILKAGGAYVPLDPEYPLERLQYMIEDSGVRLLLSHAALFEALGELPAGVARWCLEEDGPALDAEDPAPLAALSGPQHQAYLIYTSGSTGKPKGVAVSHGEIAMHCAAVIECFGMRAEDCELHFYSINFDAASERLLAPLLCGARVVLRAQGQWGAEEICELIRAEGVSILGFTPSYGSQLAQWLESQGRQLPVRMCITGGEALTGEHLQRIRQAFAPASFFNAYGPTETVVMPLACLAPERLEEGAASVPIGSVVGARVAYILDADLALVPQGATGELYVGGAGLARGYHERPALSAERFVPDPFAAEGGRLYRTGDLVRLCDNGQVEYVGRIDHQVKIRGFRIELGEIEARLLEHPQVREALVLALDSPSGKQLAGYVASAVAEQDEDAQAALREALKTHLKQQLPDYMVPAHLLLLASLPLTANGKLDRRALPAPDPALNRQAYEAPRSVLEQQLAGVWREVLNVERVGLGDNFFELGGDSILSIQVVSRARQLGIHFSPRDLFQHQTVQSLAAVARHSQASQAEQGPVQGDSALTPIQHWFFDLPLARREHWNQALLLQPRQAIDLGLLRKSLQRLVEQHDALRLAFRQVDGEWLAQHRPLREQELLWHVPVQSFDECAELFAKAQRSLDLEQGPLLRAVLVDGPAGEQRLLLAIHHLVVDGVSWRVLLEDLQQVYRQFAEGAEPALPAKTSAFRDWAGRLQAYAGSESLREELGWWQARLGGQPVEWPCDRPQGDNREALAESVSLRLDPQRTRQLLQQAPAAYRTQVNDLLLTALARVLCRWSGQPSTLVQLEGHGREALFDDIDLTRSVGWFTSAYPLRLTPAQSPGESIKAIKEQLRAVPHKGLGYGVLRYLADPAVRQAMAALPTAPITFNYLGQFDQSFADALFQPLDQPTGPIHDEQAPLPNELSVDGQVYGGELVLRWTYSRERYDARTVNELAQAYLAELQALIEHCLEDGAGGLTPSDFPLAQLSQAQLDALAVPAGEIEDVYPLTPMQEGLLLHTLLEPGTGIYYMQDRYRIDSPLDPERFAAAWQAVVARHEALRASFVWNAGETMLQVIHKPGRTRIEFLDWSELPEDGHEERLQALHKREREAGFDLLEQPPFHLRLIRLGEARYWFMMSNHHILIDAWCRGLLMNDFFEIYSALGESRPANLPTPPRYRDYIAWLQRQDLEQSRRWWSESLRGFERPTLVPSDRPFLREHAGESGGMIVGDRYTRLDAADGARLRELAQRYQLTVNTFAQAAWALTLRRFSGERDVLFGVTVAGRPVGMPEMQRTVGLFINSIPLRVQMPAAGQRCTVREWLNRLFERNLELREHEHLPLVAIQESSELPKGQPLFDSLFVFENAPVEVSVLDRAQSLNASSDSGRTHTNFPLTVVCYPGDDLGLHLSYDQRYFEAPTVERLLGEFKRLLLALADGFHGELEALPLLGEDERDFLLDGCNRSARDYPLEQGYVRLFEAQVAAHPQRIAASCLEQRWSYAELNRRANRLGHALRAAGVGIDQPVALLAERGLDLLGMIVGSFKAGAGYLPLDPGHPTQRLTRIVELSRTLVLVCTQACREQALALFDELGCVDRPRLLVWDEIQQGEGAEHDPQVYSGPQNLAYVIYTSGSTGLPKGVMVEQAGMLNNQLSKVPYLELDENDVIAQTASQSFDISVWQFLAAPLFGARVAIVPNAVAHDPQGLLAHVGEQGITVLESVPSLIQGMLAEERQALDGLRWMLPTGEAMPPELARQWLKRYPRIGLVNAYGPAECSDDVAFFRVDLASTESTYLPIGSPTDNNRLYLLGAGADDAFELVPLGAVGELCVAGTGVGRGYVGDPLRTAQAFVPHPFGAPGERLYRTGDLARRRADGVLEYVGRIDHQVKIRGFRIELGEIEARLHERADVREAAVAVQEGANGKYLVGYLVPGETPRSSADSPAGLMVEQGAWFERIKQQLRADLPDYMVPLHWLVLDRMPLNANGKLDRKALPALDIGQMQNQAYQAPRNELEETLARIWAEVLKVERVGVFDNFFELGGHSLLATQIASRVQKALQRNVPLRAMFECTTVEELASYIESLAPSEISEQKAERLNDLMSKLEML

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

11 GO

Gene Ontology (GO)

GO:0003824 Catalysis of a biochemical reaction at physiological temperatures. In biologically catalyzed reactions, the reactants are known as substrates, and the catalysts are naturally occurring macromolecular substances known as enzymes. Enzymes possess specific binding sites for substrates, and are usually composed wholly or largely of protein, but RNA that has catalytic activity (ribozyme) is often also regarded as enzymatic.
GO:0016874 Catalysis of the joining of two molecules, or two groups within a single molecule, using the energy from the hydrolysis of ATP, a similar triphosphate, or a pH gradient.
GO:0031177 Binding to phosphopantetheine, the vitamin pantetheine 4'-(dihydrogen phosphate).
GO:0016740 Catalysis of the transfer of a group, e.g. a methyl group, glycosyl group, acyl group, phosphorus-containing, or other groups, from one compound (generally regarded as the donor) to another compound (generally regarded as the acceptor). Transferase is the systematic name for any enzyme of EC class 2.
GO:0071766 A cellular process that results in the biosynthesis of constituent macromolecules, assembly, and arrangement of constituent parts of a cell wall of the type found in Actinobacteria. The cell wall is the rigid or semi-rigid envelope lying outside the cell membrane. Actinobacterial cell walls contain characteristic mycolic acids, of which some are covalently linked to the cell wall peptidoglycan and others accumulate at the cell surface.
GO:0043041 Activation of an amino acid for incorporation into a peptide by a nonribosomal process.
GO:0017000 The chemical reactions and pathways resulting in the formation of an antibiotic, a substance produced by or derived from certain fungi, bacteria, and other organisms, that can destroy or inhibit the growth of other microorganisms.
GO:0006631 The chemical reactions and pathways involving fatty acids, aliphatic monocarboxylic acids liberated from naturally occurring fats and oils by hydrolysis.
GO:0008610 The chemical reactions and pathways resulting in the formation of lipids, compounds soluble in an organic solvent but not, or sparingly, in an aqueous solvent.
GO:0072330 The chemical reactions and pathways resulting in the formation of monocarboxylic acids, any organic acid containing one carboxyl (-COOH) group.
GO:0002049 The chemical reactions and pathways resulting in the formation of the siderochrome pyoverdine.

Sequence Features

Domain/signature hits from InterPro and related databases.

165 records

Show feature table

Start	End	DB	Term	Name
1524	1630	Gene3D	G3DSA:3.30.300.30	-
1524	1630	InterPro	IPR045851	AMP-binding enzyme, C-terminal domain superfamily
2589	2698	Gene3D	G3DSA:3.30.300.30	-
2589	2698	InterPro	IPR045851	AMP-binding enzyme, C-terminal domain superfamily
4122	4240	Gene3D	G3DSA:3.30.300.30	-
4122	4240	InterPro	IPR045851	AMP-binding enzyme, C-terminal domain superfamily
17	559	CDD	cd05931	FAAL
17	559	InterPro	IPR040097	Fatty acyl-AMP ligase /fatty acyl-CoA ligase
4275	4290	ProSitePatterns	PS00012	Phosphopantetheine attachment site.
4275	4290	InterPro	IPR006162	Phosphopantetheine attachment site
4243	4317	SUPERFAMILY	SSF47336	ACP-like
4243	4317	InterPro	IPR036736	ACP-like superfamily
757	777	Coils	Coil	Coil
1730	2103	Gene3D	G3DSA:3.30.559.10	-
1730	2103	InterPro	IPR023213	Chloramphenicol acetyltransferase-like domain superfamily
674	1097	CDD	cd19531	LCL_NRPS-like
573	659	FunFam	G3DSA:1.10.1200.10:FF:000016	Non-ribosomal peptide synthase
3253	3452	FunFam	G3DSA:3.30.559.10:FF:000012	Non-ribosomal peptide synthetase
4253	4316	Pfam	PF00550	Phosphopantetheine attachment site
4253	4316	InterPro	IPR009081	Phosphopantetheine binding ACP domain
1642	1704	Pfam	PF00550	Phosphopantetheine attachment site
1642	1704	InterPro	IPR009081	Phosphopantetheine binding ACP domain
589	651	Pfam	PF00550	Phosphopantetheine attachment site
589	651	InterPro	IPR009081	Phosphopantetheine binding ACP domain
2710	2771	Pfam	PF00550	Phosphopantetheine attachment site
2710	2771	InterPro	IPR009081	Phosphopantetheine binding ACP domain
1634	1709	ProSiteProfiles	PS50075	Carrier protein (CP) domain profile.
1634	1709	InterPro	IPR009081	Phosphopantetheine binding ACP domain
3867	3878	ProSitePatterns	PS00455	Putative AMP-binding domain signature.
3867	3878	InterPro	IPR020845	AMP-binding, conserved site
2214	2351	FunFam	G3DSA:3.40.50.980:FF:000001	Non-ribosomal peptide synthetase
1912	2157	FunFam	G3DSA:3.30.559.30:FF:000001	Non-ribosomal peptide synthetase
4245	4320	ProSiteProfiles	PS50075	Carrier protein (CP) domain profile.
4245	4320	InterPro	IPR009081	Phosphopantetheine binding ACP domain
581	687	SUPERFAMILY	SSF47336	ACP-like
581	687	InterPro	IPR036736	ACP-like superfamily
611	626	ProSitePatterns	PS00012	Phosphopantetheine attachment site.
611	626	InterPro	IPR006162	Phosphopantetheine attachment site
2186	2588	FunFam	G3DSA:3.40.50.12780:FF:000012	Non-ribosomal peptide synthetase
1156	1290	FunFam	G3DSA:3.40.50.980:FF:000001	Non-ribosomal peptide synthetase
14	745	PANTHER	PTHR45398	-
1275	1286	ProSitePatterns	PS00455	Putative AMP-binding domain signature.
1275	1286	InterPro	IPR020845	AMP-binding, conserved site
2783	2981	SUPERFAMILY	SSF52777	CoA-dependent acyltransferases
4242	4319	FunFam	G3DSA:1.10.1200.10:FF:000005	Nonribosomal peptide synthetase 1
450	569	Gene3D	G3DSA:3.30.300.30	-
450	569	InterPro	IPR045851	AMP-binding enzyme, C-terminal domain superfamily
2952	3218	Gene3D	G3DSA:3.30.559.30	Nonribosomal peptide synthetase, condensation domain
2778	2951	Gene3D	G3DSA:3.30.559.10	-
2778	2951	InterPro	IPR023213	Chloramphenicol acetyltransferase-like domain superfamily
2154	2722	SUPERFAMILY	SSF56801	Acetyl-CoA synthetase-like
3253	3430	SUPERFAMILY	SSF52777	CoA-dependent acyltransferases
2336	2347	ProSitePatterns	PS00455	Putative AMP-binding domain signature.
2336	2347	InterPro	IPR020845	AMP-binding, conserved site
4241	4320	Gene3D	G3DSA:1.10.1200.10	-
4241	4320	InterPro	IPR036736	ACP-like superfamily
2699	2777	Gene3D	G3DSA:1.10.1200.10	-
2699	2777	InterPro	IPR036736	ACP-like superfamily
8	561	SUPERFAMILY	SSF56801	Acetyl-CoA synthetase-like
2789	3214	CDD	cd19534	E_NRPS
2778	2946	FunFam	G3DSA:3.30.559.10:FF:000016	Nonribosomal peptide synthase Pes1
2513	2588	Gene3D	G3DSA:2.30.38.10	Luciferase; Domain 3
4041	4121	Gene3D	G3DSA:2.30.38.10	Luciferase; Domain 3
1573	1593	Coils	Coil	Coil
3	449	Gene3D	G3DSA:3.40.50.12780	-
3	449	InterPro	IPR042099	ANL, N-terminal domain
4122	4238	FunFam	G3DSA:3.30.300.30:FF:000010	Enterobactin synthetase component F
1731	1929	FunFam	G3DSA:3.30.559.10:FF:000012	Non-ribosomal peptide synthetase
1094	1653	SUPERFAMILY	SSF56801	Acetyl-CoA synthetase-like
3727	4230	CDD	cd05930	A_NRPS
2267	4342	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
858	1099	Gene3D	G3DSA:3.30.559.30	Nonribosomal peptide synthetase, condensation domain
3432	3695	Gene3D	G3DSA:3.30.559.30	Nonribosomal peptide synthetase, condensation domain
3741	3882	Gene3D	G3DSA:3.40.50.980	-
1156	1290	Gene3D	G3DSA:3.40.50.980	-
2214	2351	Gene3D	G3DSA:3.40.50.980	-
581	656	ProSiteProfiles	PS50075	Carrier protein (CP) domain profile.
581	656	InterPro	IPR009081	Phosphopantetheine binding ACP domain
2509	2585	FunFam	G3DSA:2.30.38.10:FF:000001	Non-ribosomal peptide synthetase PvdI
2952	3218	FunFam	G3DSA:3.30.559.30:FF:000064	Linear gramicidin synthase subunit B
1728	2155	CDD	cd19531	LCL_NRPS-like
1	1968	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
2603	2683	Pfam	PF13193	AMP-binding enzyme C-terminal domain
2603	2683	InterPro	IPR025110	AMP-binding enzyme, C-terminal domain
1539	1616	Pfam	PF13193	AMP-binding enzyme C-terminal domain
1539	1616	InterPro	IPR025110	AMP-binding enzyme, C-terminal domain
4136	4224	Pfam	PF13193	AMP-binding enzyme C-terminal domain
4136	4224	InterPro	IPR025110	AMP-binding enzyme, C-terminal domain
3088	3240	NCBIfam	TIGR01720	non-ribosomal peptide synthase domain TIGR01720
3088	3240	InterPro	IPR010060	Non-ribosomal peptide synthase
587	656	SMART	SM00823	Phosphopantetheine attachment site
587	656	InterPro	IPR020806	Polyketide synthase, phosphopantetheine-binding domain
4251	4320	SMART	SM00823	Phosphopantetheine attachment site
4251	4320	InterPro	IPR020806	Polyketide synthase, phosphopantetheine-binding domain
2709	2776	SMART	SM00823	Phosphopantetheine attachment site
2709	2776	InterPro	IPR020806	Polyketide synthase, phosphopantetheine-binding domain
1640	1709	SMART	SM00823	Phosphopantetheine attachment site
1640	1709	InterPro	IPR020806	Polyketide synthase, phosphopantetheine-binding domain
2787	3217	Pfam	PF00668	Condensation domain
2787	3217	InterPro	IPR001242	Condensation domain
675	1115	Pfam	PF00668	Condensation domain
675	1115	InterPro	IPR001242	Condensation domain
1727	2174	Pfam	PF00668	Condensation domain
1727	2174	InterPro	IPR001242	Condensation domain
3248	3698	Pfam	PF00668	Condensation domain
3248	3698	InterPro	IPR001242	Condensation domain
3723	4038	Gene3D	G3DSA:3.40.50.980	-
1134	1531	Pfam	PF00501	AMP-binding enzyme
1134	1531	InterPro	IPR000873	AMP-dependent synthetase/ligase domain
3719	4128	Pfam	PF00501	AMP-binding enzyme
3719	4128	InterPro	IPR000873	AMP-dependent synthetase/ligase domain
16	456	Pfam	PF00501	AMP-binding enzyme
16	456	InterPro	IPR000873	AMP-dependent synthetase/ligase domain
2192	2595	Pfam	PF00501	AMP-binding enzyme
2192	2595	InterPro	IPR000873	AMP-dependent synthetase/ligase domain
677	870	FunFam	G3DSA:3.30.559.10:FF:000012	Non-ribosomal peptide synthetase
2701	2771	SUPERFAMILY	SSF47336	ACP-like
2701	2771	InterPro	IPR036736	ACP-like superfamily
2196	2507	Gene3D	G3DSA:3.40.50.980	-
3431	3682	SUPERFAMILY	SSF52777	CoA-dependent acyltransferases
678	854	SUPERFAMILY	SSF52777	CoA-dependent acyltransferases
1731	1908	SUPERFAMILY	SSF52777	CoA-dependent acyltransferases
1633	1705	SUPERFAMILY	SSF47336	ACP-like
1633	1705	InterPro	IPR036736	ACP-like superfamily
2703	2777	ProSiteProfiles	PS50075	Carrier protein (CP) domain profile.
2703	2777	InterPro	IPR009081	Phosphopantetheine binding ACP domain
2700	2776	FunFam	G3DSA:1.10.1200.10:FF:000005	Nonribosomal peptide synthetase 1
3253	3630	Gene3D	G3DSA:3.30.559.10	-
3253	3630	InterPro	IPR023213	Chloramphenicol acetyltransferase-like domain superfamily
1525	1630	FunFam	G3DSA:3.30.300.30:FF:000056	Putative peptide synthase
2589	2697	FunFam	G3DSA:3.30.300.30:FF:000010	Enterobactin synthetase component F
3741	3882	FunFam	G3DSA:3.40.50.980:FF:000001	Non-ribosomal peptide synthetase
1128	1524	FunFam	G3DSA:3.40.50.12780:FF:000012	Non-ribosomal peptide synthetase
1989	2246	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
1631	1708	FunFam	G3DSA:1.10.1200.10:FF:000005	Nonribosomal peptide synthetase 1
1444	1521	FunFam	G3DSA:2.30.38.10:FF:000001	Non-ribosomal peptide synthetase PvdI
2247	2266	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
1443	1521	Gene3D	G3DSA:2.30.38.10	Luciferase; Domain 3
571	658	Gene3D	G3DSA:1.10.1200.10	-
571	658	InterPro	IPR036736	ACP-like superfamily
1631	1713	Gene3D	G3DSA:1.10.1200.10	-
1631	1713	InterPro	IPR036736	ACP-like superfamily
2213	2619	NCBIfam	TIGR01733	amino acid adenylation domain
2213	2619	InterPro	IPR010071	Amino acid adenylation domain
3740	4152	NCBIfam	TIGR01733	amino acid adenylation domain
3740	4152	InterPro	IPR010071	Amino acid adenylation domain
1156	1555	NCBIfam	TIGR01733	amino acid adenylation domain
1156	1555	InterPro	IPR010071	Amino acid adenylation domain
1131	1622	CDD	cd17646	A_NRPS_AB3403-like
2733	2748	ProSitePatterns	PS00012	Phosphopantetheine attachment site.
2733	2748	InterPro	IPR006162	Phosphopantetheine attachment site
3250	3678	CDD	cd19543	DCL_NRPS
676	1044	Gene3D	G3DSA:3.30.559.10	-
676	1044	InterPro	IPR023213	Chloramphenicol acetyltransferase-like domain superfamily
862	1104	SUPERFAMILY	SSF52777	CoA-dependent acyltransferases
1914	2157	SUPERFAMILY	SSF52777	CoA-dependent acyltransferases
1138	1442	Gene3D	G3DSA:3.40.50.980	-
2967	3216	SUPERFAMILY	SSF52777	CoA-dependent acyltransferases
4037	4118	FunFam	G3DSA:2.30.38.10:FF:000001	Non-ribosomal peptide synthetase PvdI
1	448	FunFam	G3DSA:3.40.50.12780:FF:000013	Long-chain-fatty-acid--AMP ligase FadD32
1912	2158	Gene3D	G3DSA:3.30.559.30	Nonribosomal peptide synthetase, condensation domain
2200	2690	CDD	cd17649	A_NRPS_PvdJ-like
3684	4264	SUPERFAMILY	SSF56801	Acetyl-CoA synthetase-like
1969	1988	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
1291	1442	FunFam	G3DSA:3.40.50.980:FF:000002	Enterobactin synthetase component F

Ligand evidence

Ligands grouped by evidence source. PDB ligands keep the source crystal visible, and loaded crystals can be opened directly in the structure viewer.

64 records

Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in TPW, use Open crystal to inspect it in the structure viewer.

No PDB structure with a co-crystallized ligand found for this exact protein.

Structural evidence inferred from similar proteins. The source crystal indicates where the ligand was observed; the UniProt column identifies the homologous protein carrying that ligand.

Ligand	Source crystal	UniProt (homolog)	MW · LogP · TPSA	Lipinski	PAINS	SMILES
5FQ	5DUA	Q9Z4X6	158.2 Da LogP 0.64 TPSA 55.1	✓ Ro5	✓ Clean	`CCCCCNC(=O)[C@H](C)N`
5S4	5ES8	Q70LM7	440.4 Da LogP -1.80 TPSA 200.3	1 viol.	✓ Clean	`CC(C)[C@@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C…`
9EF	6MFX	Q70LM7	383.3 Da LogP -1.76 TPSA 174.3	1 viol.	✓ Clean	`CC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)…`
APC	5ES7	Q70LM7	505.2 Da LogP -1.52 TPSA 269.9	3 viol.	✓ Clean	`c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…`
CO8	7C1R	E5ATN9	893.7 Da LogP 1.03 TPSA 363.6	3 viol.	✓ Clean	`CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P…`
DG9	6MG0	Q70LM7	785.8 Da LogP -2.85 TPSA 336.7	3 viol.	✓ Clean	`CC(C)[C@H]([C@H](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]…`
FGU	7C1S	E5ATN9	232.3 Da LogP 0.76 TPSA 72.2	✓ Ro5	✓ Clean	`CC(C)C[C@@H](C(=O)SCCNC(=O)C)N`
FLC	6P1J	A0A0B5H0S3	189.1 Da LogP -5.25 TPSA 140.6	✓ Ro5	✓ Clean	`C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O`
FON	5ES7	Q70LM7	473.4 Da LogP -0.73 TPSA 219.8	1 viol.	✓ Clean	`c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2…`
JQG	6MFW	Q70LM7	468.4 Da LogP -1.84 TPSA 200.2	1 viol.	✓ Clean	`CC(C)[C@@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C…`
KH4	4PWV	F2YRY5	452.4 Da LogP -0.60 TPSA 190.9	1 viol.	✓ Clean	`CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c…`
KIV	6ULZ	Q70LM7	116.1 Da LogP 0.30 TPSA 54.4	✓ Ro5	✓ Clean	`CC(C)C(=O)C(=O)O`
PNS	5ES9	Q70LM7	358.4 Da LogP -0.96 TPSA 145.2	1 viol.	✓ Clean	`CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O`
UM2	5DU9	Q9Z4X6	144.2 Da LogP 0.25 TPSA 55.1	✓ Ro5	✓ Clean	`CCCCNC(=O)[C@H](C)N`

Experimental bioactivity from ChEMBL measured directly on this protein. Score = pchembl (−log Ki/IC₅₀; higher = more potent).

No ChEMBL bioactivity data found for this exact protein.

Bioactivity inferred from similar proteins in ChEMBL. Score = pchembl (−log Ki/IC₅₀; higher = more potent).

No ChEMBL hits found through similar proteins.

Proposed virtual-screening candidates from ZINC. Score = Tanimoto similarity to a known binder (0–1; higher = more similar).

Ligand	Tanimoto	MW · LogP · TPSA	Lipinski	PAINS	SMILES
ZINC106191477	0.958	200.3 Da LogP 1.81 TPSA 55.1	✓ Ro5	✓ Clean	`CCCCCCCCNC(=O)[C@H](C)N`
ZINC105469665	0.855	425.2 Da LogP -1.64 TPSA 223.4	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)CP(=O…`
ZINC13527614	0.855	425.2 Da LogP -1.64 TPSA 223.4	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)CP(=O)…`
ZINC219330894	0.855	425.2 Da LogP -1.64 TPSA 223.4	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)CP(=O)…`
ZINC3873852	0.855	425.2 Da LogP -1.64 TPSA 223.4	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)CP(=O)…`
ZINC3873853	0.855	425.2 Da LogP -1.64 TPSA 223.4	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@](=O)(O)CP(=O…`
ZINC3873854	0.855	425.2 Da LogP -1.64 TPSA 223.4	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)CP(=O)…`
ZINC3873855	0.855	425.2 Da LogP -1.64 TPSA 223.4	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@](=O)(O)CP(=O…`
ZINC12360002	0.821	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O…`
ZINC12360703	0.821	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O…`
ZINC12503599	0.821	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O…`
ZINC16546165	0.821	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@](=O)(O)OP(=O)(…`
ZINC31977053	0.821	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)OP(=O)…`
ZINC4806433	0.821	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O…`
ZINC53683898	0.821	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)(O)OP(=…`
ZINC8586019	0.821	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)OP(=O)…`
ZINC8586020	0.821	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)(O)OP(=…`
ZINC8586021	0.821	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)(O)OP(=O…`
ZINC8586022	0.821	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)(O)OP(=…`
ZINC13518964	0.815	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@H](…`
ZINC1532515	0.815	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@H](O…`
ZINC1571045	0.815	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H]…`
ZINC1842158	0.815	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@H](O…`
ZINC2046931	0.815	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@H](…`
ZINC2126310	0.815	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](…`
ZINC3201891	0.815	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H]…`
ZINC3201893	0.815	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@@H](…`
ZINC3830180	0.815	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@@H](…`
ZINC3860156	0.815	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](…`
ZINC3977897	0.815	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)O)[C@@H](O…`
ZINC4806442	0.815	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O…`
ZINC8613167	0.815	347.2 Da LogP -1.86 TPSA 186.1	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O…`
ZINC9212425	0.803	473.4 Da LogP -0.73 TPSA 219.8	1 viol.	✓ Clean	`Nc1nc2c(c(=O)[nH]1)N(C=O)[C@@H](CNc1ccc(C(=O)N[…`
ZINC9212426	0.803	473.4 Da LogP -0.73 TPSA 219.8	1 viol.	✓ Clean	`Nc1nc2c(c(=O)[nH]1)N(C=O)[C@H](CNc1ccc(C(=O)N[C…`
ZINC9212427	0.803	473.4 Da LogP -0.73 TPSA 219.8	1 viol.	✓ Clean	`Nc1nc2c(c(=O)[nH]1)N(C=O)[C@@H](CNc1ccc(C(=O)N[…`
ZINC9212428	0.803	473.4 Da LogP -0.73 TPSA 219.8	1 viol.	✓ Clean	`Nc1nc2c(c(=O)[nH]1)N(C=O)[C@H](CNc1ccc(C(=O)N[C…`
ZINC4096224	0.768	346.2 Da LogP -1.90 TPSA 191.9	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](N)(=O)O)[C@@…`
ZINC105372833	0.750	345.3 Da LogP -1.93 TPSA 197.6	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(N)(N)=O)[C@H](O…`
ZINC105372837	0.750	345.3 Da LogP -1.93 TPSA 197.6	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(N)(N)=O)[C@H](O…`
ZINC17107643	0.750	345.3 Da LogP -1.93 TPSA 197.6	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(N)(N)=O)[C@@H](…`
ZINC204538551	0.750	345.3 Da LogP -1.93 TPSA 197.6	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(N)(N)=O)[C@@H](…`
ZINC200768381	0.727	344.3 Da LogP -0.08 TPSA 153.4	✓ Ro5	✓ Clean	`Nc1nc(=O)c2c([nH]1)NC[C@@H](CNc1ccc(C(=O)O)cc1)…`
ZINC200768411	0.727	344.3 Da LogP -0.08 TPSA 153.4	✓ Ro5	✓ Clean	`Nc1nc(=O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)O)cc1)N…`
ZINC8628600	0.716	473.5 Da LogP 0.13 TPSA 202.8	1 viol.	✓ Clean	`CN1c2c([nH]c(N)nc2=O)NC[C@@H]1CCNc1ccc(C(=O)N[C…`
ZINC8628601	0.716	473.5 Da LogP 0.13 TPSA 202.8	1 viol.	✓ Clean	`CN1c2c([nH]c(N)nc2=O)NC[C@H]1CCNc1ccc(C(=O)N[C@…`
ZINC5615251	0.712	375.3 Da LogP -0.55 TPSA 164.1	1 viol.	✓ Clean	`COP(=O)(OC)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@…`
ZINC5615253	0.712	375.3 Da LogP -0.55 TPSA 164.1	1 viol.	✓ Clean	`COP(=O)(OC)OC[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C…`
ZINC5615258	0.712	375.3 Da LogP -0.55 TPSA 164.1	1 viol.	✓ Clean	`COP(=O)(OC)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@…`
ZINC5615263	0.712	375.3 Da LogP -0.55 TPSA 164.1	1 viol.	✓ Clean	`COP(=O)(OC)OC[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C…`
ZINC141163786	0.705	427.3 Da LogP -2.04 TPSA 229.4	1 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OS(=O)…`

PDB and ChEMBL records on this protein are shown in full. ChEMBL records from similar proteins are capped at the top 100 per protein (by pchembl) and ZINC at the top 50 (Tanimoto ≥ 0.5). ADME columns are descriptor-based screening flags, not experimental toxicity results.

3D Structure

No structural model is available for this protein.

Structure unavailable

No pre-computed model was found in the AlphaFold database and no ColabFold prediction is available for this protein.

Sequence length: 4342 aa