Protein profile

PA2402

peptide synthase

Genome: NC_002516.2

Gene: PA2402 Structure source: Unavailable UniProt Q9I179
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Amino acids 5149
Annotations 5
Features 185
PDB binders 14

Overview

Basic information about this protein and its source genome.

Accession
PA2402
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA2402
Status
annotated
Amino acids
5149
Structure source
Unavailable
GO
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:0072330 The chemical reactions and pathways resulting in the formation of monocarboxylic acids, any organic acid containing one carboxyl (-COOH) group. GO:0044550 The chemical reactions and pathways resulting in the formation of secondary metabolites, the compounds that are not necessarily required for growth and maintenance of cells, and are often unique to a taxon. 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.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
33.562
Human E-value
4.24e-12
Gut microbiome off-target
hit
Essential (DEG)
N
Localization
Unknown

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

5 GO

Gene Ontology (GO)

5
  • 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:0072330 The chemical reactions and pathways resulting in the formation of monocarboxylic acids, any organic acid containing one carboxyl (-COOH) group.
  • GO:0044550 The chemical reactions and pathways resulting in the formation of secondary metabolites, the compounds that are not necessarily required for growth and maintenance of cells, and are often unique to a taxon.
  • 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.

Sequence Features

Domain/signature hits from InterPro and related databases.

185 records
Show feature table
Start End DB Term Name
3923 4077 NCBIfam TIGR01720 non-ribosomal peptide synthase domain TIGR01720
3923 4077 InterPro IPR010060 Non-ribosomal peptide synthase
1388 1542 NCBIfam TIGR01720 non-ribosomal peptide synthase domain TIGR01720
1388 1542 InterPro IPR010060 Non-ribosomal peptide synthase
2763 3007 Gene3D G3DSA:3.30.559.30 Nonribosomal peptide synthetase, condensation domain
3537 3606 SUPERFAMILY SSF47336 ACP-like
3537 3606 InterPro IPR036736 ACP-like superfamily
3618 3817 SUPERFAMILY SSF52777 CoA-dependent acyltransferases
1009 1084 FunFam G3DSA:1.10.1200.10:FF:000005 Nonribosomal peptide synthetase 1
4565 4700 Gene3D G3DSA:3.40.50.980 -
3066 3200 Gene3D G3DSA:3.40.50.980 -
539 673 Gene3D G3DSA:3.40.50.980 -
2016 2150 Gene3D G3DSA:3.40.50.980 -
3803 4051 SUPERFAMILY SSF52777 CoA-dependent acyltransferases
52 478 CDD cd19531 LCL_NRPS-like
3659 3679 Coils Coil Coil
5139 5149 Coils Coil Coil
3354 3430 FunFam G3DSA:2.30.38.10:FF:000001 Non-ribosomal peptide synthetase PvdI
4087 4504 CDD cd19543 DCL_NRPS
1097 1516 CDD cd19534 E_NRPS
3624 4051 CDD cd19534 E_NRPS
673 825 FunFam G3DSA:3.40.50.980:FF:000002 Enterobactin synthetase component F
5050 5145 Gene3D G3DSA:3.40.50.1820 alpha/beta hydrolase
5050 5145 InterPro IPR029058 Alpha/Beta hydrolase fold
4090 4261 SUPERFAMILY SSF52777 CoA-dependent acyltransferases
5054 5129 ProSiteProfiles PS50075 Carrier protein (CP) domain profile.
5054 5129 InterPro IPR009081 Phosphopantetheine binding ACP domain
5084 5099 ProSitePatterns PS00012 Phosphopantetheine attachment site.
5084 5099 InterPro IPR006162 Phosphopantetheine attachment site
1989 2382 FunFam G3DSA:3.40.50.12780:FF:000012 Non-ribosomal peptide synthetase
1018 1086 SMART SM00823 Phosphopantetheine attachment site
1018 1086 InterPro IPR020806 Polyketide synthase, phosphopantetheine-binding domain
2499 2568 SMART SM00823 Phosphopantetheine attachment site
2499 2568 InterPro IPR020806 Polyketide synthase, phosphopantetheine-binding domain
5060 5129 SMART SM00823 Phosphopantetheine attachment site
5060 5129 InterPro IPR020806 Polyketide synthase, phosphopantetheine-binding domain
3544 3612 SMART SM00823 Phosphopantetheine attachment site
3544 3612 InterPro IPR020806 Polyketide synthase, phosphopantetheine-binding domain
1546 1733 SUPERFAMILY SSF52777 CoA-dependent acyltransferases
4551 5041 CDD cd17649 A_NRPS_PvdJ-like
3200 3352 FunFam G3DSA:3.40.50.980:FF:000002 Enterobactin synthetase component F
1010 1079 SUPERFAMILY SSF47336 ACP-like
1010 1079 InterPro IPR036736 ACP-like superfamily
1012 1086 ProSiteProfiles PS50075 Carrier protein (CP) domain profile.
1012 1086 InterPro IPR009081 Phosphopantetheine binding ACP domain
511 906 FunFam G3DSA:3.40.50.12780:FF:000012 Non-ribosomal peptide synthetase
4533 5135 PANTHER PTHR45398 -
539 937 NCBIfam TIGR01733 amino acid adenylation domain
539 937 InterPro IPR010071 Amino acid adenylation domain
2015 2413 NCBIfam TIGR01733 amino acid adenylation domain
2015 2413 InterPro IPR010071 Amino acid adenylation domain
3066 3464 NCBIfam TIGR01733 amino acid adenylation domain
3066 3464 InterPro IPR010071 Amino acid adenylation domain
4564 4968 NCBIfam TIGR01733 amino acid adenylation domain
4564 4968 InterPro IPR010071 Amino acid adenylation domain
1555 1906 Gene3D G3DSA:3.30.559.10 -
1555 1906 InterPro IPR023213 Chloramphenicol acetyltransferase-like domain superfamily
3538 3612 ProSiteProfiles PS50075 Carrier protein (CP) domain profile.
3538 3612 InterPro IPR009081 Phosphopantetheine binding ACP domain
1552 1956 CDD cd19543 DCL_NRPS
1100 1264 SUPERFAMILY SSF52777 CoA-dependent acyltransferases
1271 1517 SUPERFAMILY SSF52777 CoA-dependent acyltransferases
4262 4512 SUPERFAMILY SSF52777 CoA-dependent acyltransferases
2493 2568 ProSiteProfiles PS50075 Carrier protein (CP) domain profile.
2493 2568 InterPro IPR009081 Phosphopantetheine binding ACP domain
1998 2302 Gene3D G3DSA:3.40.50.980 -
2383 2486 Gene3D G3DSA:3.30.300.30 -
2383 2486 InterPro IPR045851 AMP-binding enzyme, C-terminal domain superfamily
4565 4700 FunFam G3DSA:3.40.50.980:FF:000001 Non-ribosomal peptide synthetase
3535 3610 FunFam G3DSA:1.10.1200.10:FF:000005 Nonribosomal peptide synthetase 1
521 825 Gene3D G3DSA:3.40.50.980 -
4857 4934 FunFam G3DSA:2.30.38.10:FF:000001 Non-ribosomal peptide synthetase PvdI
2767 3031 SUPERFAMILY SSF52777 CoA-dependent acyltransferases
52 229 SUPERFAMILY SSF52777 CoA-dependent acyltransferases
514 998 CDD cd17646 A_NRPS_AB3403-like
233 480 Gene3D G3DSA:3.30.559.30 Nonribosomal peptide synthetase, condensation domain
2383 2490 FunFam G3DSA:3.30.300.30:FF:000015 Nonribosomal peptide synthase SidD
235 504 SUPERFAMILY SSF52777 CoA-dependent acyltransferases
3052 3525 CDD cd05930 A_NRPS
3001 3557 SUPERFAMILY SSF56801 Acetyl-CoA synthetase-like
1020 1079 Pfam PF00550 Phosphopantetheine attachment site
1020 1079 InterPro IPR009081 Phosphopantetheine binding ACP domain
5061 5123 Pfam PF00550 Phosphopantetheine attachment site
5061 5123 InterPro IPR009081 Phosphopantetheine binding ACP domain
3546 3606 Pfam PF00550 Phosphopantetheine attachment site
3546 3606 InterPro IPR009081 Phosphopantetheine binding ACP domain
2501 2562 Pfam PF00550 Phosphopantetheine attachment site
2501 2562 InterPro IPR009081 Phosphopantetheine binding ACP domain
1042 1057 ProSitePatterns PS00012 Phosphopantetheine attachment site.
1042 1057 InterPro IPR006162 Phosphopantetheine attachment site
4501 5073 SUPERFAMILY SSF56801 Acetyl-CoA synthetase-like
4090 4454 Gene3D G3DSA:3.30.559.10 -
4090 4454 InterPro IPR023213 Chloramphenicol acetyltransferase-like domain superfamily
4263 4518 Gene3D G3DSA:3.30.559.30 Nonribosomal peptide synthetase, condensation domain
1720 1958 SUPERFAMILY SSF52777 CoA-dependent acyltransferases
52 247 FunFam G3DSA:3.30.559.10:FF:000012 Non-ribosomal peptide synthetase
3038 3433 FunFam G3DSA:3.40.50.12780:FF:000012 Non-ribosomal peptide synthetase
3048 3352 Gene3D G3DSA:3.40.50.980 -
4685 4696 ProSitePatterns PS00455 Putative AMP-binding domain signature.
4685 4696 InterPro IPR020845 AMP-binding, conserved site
1255 1522 Gene3D G3DSA:3.30.559.30 Nonribosomal peptide synthetase, condensation domain
3788 4057 Gene3D G3DSA:3.30.559.30 Nonribosomal peptide synthetase, condensation domain
2493 2564 SUPERFAMILY SSF47336 ACP-like
2493 2564 InterPro IPR036736 ACP-like superfamily
1994 2389 Pfam PF00501 AMP-binding enzyme
1994 2389 InterPro IPR000873 AMP-dependent synthetase/ligase domain
3044 3440 Pfam PF00501 AMP-binding enzyme
3044 3440 InterPro IPR000873 AMP-dependent synthetase/ligase domain
517 913 Pfam PF00501 AMP-binding enzyme
517 913 InterPro IPR000873 AMP-dependent synthetase/ligase domain
4544 4944 Pfam PF00501 AMP-binding enzyme
4544 4944 InterPro IPR000873 AMP-dependent synthetase/ligase domain
539 672 FunFam G3DSA:3.40.50.980:FF:000001 Non-ribosomal peptide synthetase
2763 3007 FunFam G3DSA:3.30.559.30:FF:000001 Non-ribosomal peptide synthetase
2585 2953 Gene3D G3DSA:3.30.559.10 -
2585 2953 InterPro IPR023213 Chloramphenicol acetyltransferase-like domain superfamily
4547 4856 Gene3D G3DSA:3.40.50.980 -
3066 3199 FunFam G3DSA:3.40.50.980:FF:000001 Non-ribosomal peptide synthetase
5051 5128 FunFam G3DSA:1.10.1200.10:FF:000005 Nonribosomal peptide synthetase 1
3434 3533 FunFam G3DSA:3.30.300.30:FF:000010 Enterobactin synthetase component F
2586 2759 SUPERFAMILY SSF52777 CoA-dependent acyltransferases
1953 2512 SUPERFAMILY SSF56801 Acetyl-CoA synthetase-like
1006 1085 Gene3D G3DSA:1.10.1200.10 -
1006 1085 InterPro IPR036736 ACP-like superfamily
3534 3611 Gene3D G3DSA:1.10.1200.10 -
3534 3611 InterPro IPR036736 ACP-like superfamily
2487 2571 Gene3D G3DSA:1.10.1200.10 -
2487 2571 InterPro IPR036736 ACP-like superfamily
5052 5123 SUPERFAMILY SSF47336 ACP-like
5052 5123 InterPro IPR036736 ACP-like superfamily
658 669 ProSitePatterns PS00455 Putative AMP-binding domain signature.
658 669 InterPro IPR020845 AMP-binding, conserved site
2002 2480 CDD cd17649 A_NRPS_PvdJ-like
907 1006 FunFam G3DSA:3.30.300.30:FF:000010 Enterobactin synthetase component F
2586 2777 FunFam G3DSA:3.30.559.10:FF:000012 Non-ribosomal peptide synthetase
827 903 FunFam G3DSA:2.30.38.10:FF:000001 Non-ribosomal peptide synthetase PvdI
52 426 Gene3D G3DSA:3.30.559.10 -
52 426 InterPro IPR023213 Chloramphenicol acetyltransferase-like domain superfamily
4938 5048 FunFam G3DSA:3.30.300.30:FF:000010 Enterobactin synthetase component F
4938 5049 Gene3D G3DSA:3.30.300.30 -
4938 5049 InterPro IPR045851 AMP-binding enzyme, C-terminal domain superfamily
906 1005 Gene3D G3DSA:3.30.300.30 -
906 1005 InterPro IPR045851 AMP-binding enzyme, C-terminal domain superfamily
3433 3533 Gene3D G3DSA:3.30.300.30 -
3433 3533 InterPro IPR045851 AMP-binding enzyme, C-terminal domain superfamily
1720 1971 Gene3D G3DSA:3.30.559.30 Nonribosomal peptide synthetase, condensation domain
4084 4518 Pfam PF00668 Condensation domain
4084 4518 InterPro IPR001242 Condensation domain
3623 4051 Pfam PF00668 Condensation domain
3623 4051 InterPro IPR001242 Condensation domain
1550 1973 Pfam PF00668 Condensation domain
1550 1973 InterPro IPR001242 Condensation domain
52 497 Pfam PF00668 Condensation domain
52 497 InterPro IPR001242 Condensation domain
1096 1528 Pfam PF00668 Condensation domain
1096 1528 InterPro IPR001242 Condensation domain
2583 3024 Pfam PF00668 Condensation domain
2583 3024 InterPro IPR001242 Condensation domain
4952 5034 Pfam PF13193 AMP-binding enzyme C-terminal domain
4952 5034 InterPro IPR025110 AMP-binding enzyme, C-terminal domain
3448 3519 Pfam PF13193 AMP-binding enzyme C-terminal domain
3448 3519 InterPro IPR025110 AMP-binding enzyme, C-terminal domain
2397 2473 Pfam PF13193 AMP-binding enzyme C-terminal domain
2397 2473 InterPro IPR025110 AMP-binding enzyme, C-terminal domain
921 992 Pfam PF13193 AMP-binding enzyme C-terminal domain
921 992 InterPro IPR025110 AMP-binding enzyme, C-terminal domain
1139 1159 Coils Coil Coil
2016 2150 FunFam G3DSA:3.40.50.980:FF:000001 Non-ribosomal peptide synthetase
4861 4937 Gene3D G3DSA:2.30.38.10 Luciferase; Domain 3
2307 2382 Gene3D G3DSA:2.30.38.10 Luciferase; Domain 3
1086 1253 Gene3D G3DSA:3.30.559.10 -
1086 1253 InterPro IPR023213 Chloramphenicol acetyltransferase-like domain superfamily
3612 3787 Gene3D G3DSA:3.30.559.10 -
3612 3787 InterPro IPR023213 Chloramphenicol acetyltransferase-like domain superfamily
2523 2538 ProSitePatterns PS00012 Phosphopantetheine attachment site.
2523 2538 InterPro IPR006162 Phosphopantetheine attachment site
3185 3196 ProSitePatterns PS00455 Putative AMP-binding domain signature.
3185 3196 InterPro IPR020845 AMP-binding, conserved site
3353 3430 Gene3D G3DSA:2.30.38.10 Luciferase; Domain 3
826 903 Gene3D G3DSA:2.30.38.10 Luciferase; Domain 3
2487 2571 FunFam G3DSA:1.10.1200.10:FF:000016 Non-ribosomal peptide synthase
474 1031 SUPERFAMILY SSF56801 Acetyl-CoA synthetase-like
2135 2146 ProSitePatterns PS00455 Putative AMP-binding domain signature.
2135 2146 InterPro IPR020845 AMP-binding, conserved site
2583 3005 CDD cd19531 LCL_NRPS-like

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

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.

Show only:
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

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: 5149 aa