Protein profile

PA5017

hypothetical protein

Genome: NC_002516.2

Gene: PA5017 Structure source: AlphaFold UniProt Q9HUF2

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Amino acids 899

Annotations 4

Features 54

PDB binders 4

Druggability 0.76

Overview

Basic information about this protein and its source genome.

Accession: PA5017
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA5017
Status: annotated
Amino acids: 899
Structure source: AlphaFold

3.1.4.52

GO:0071111 Catalysis of the reaction: cyclic di-3',5'-guanylate + H2O = 5'-phosphoguanylyl(3'->5')guanosine + H+. GO:0043200 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of an amino acid stimulus. An amino acid is a carboxylic acids containing one or more amino groups. GO:0005515 Binding to a protein.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 29.487
Human E-value: 4.48e-06
Gut microbiome off-target: hit
Essential (DEG): N
Localization: CytoplasmicMembrane

Selected Druggability evidence

Selected Druggability is the FPocket score chosen for ranking using the curated structure priority. The 3D viewer may show a different loaded structure, so its visible pockets can differ.

FPocket 0.76

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

MKSHPDAASRSAAEVVTQLPVPSRLGLLRFERLNEPSWALLFLDPACERQLGLPATTLCALLDAPYASLMEPEARHRLHEQIQQQLVKRPHYQVSYKLHTPNGVLTMLEFGEAFQQHGRQLLHGYLMVEERAESAERSEQLLDLESQNLRLKASLDLYQRSQDDHLQHLLRSRTQQNLIVRLARHRYLSSDPLLEAAQLITQAACEAYGTARAGIWRLLDDQRLEAVTVYRRDLDQYEKPQSIDASRYPAYLEAVHSGRAIDAHNAQRDPRTQELYKDYLRPLGVNALLDATIRIGGEVVGVLCLEHAGENRMWQSDEIAFAGELADQYAQVLMNHERRNVSSALHLFQRAVEQSASAFLLIDRDGVVEYVNPSFTSITQYSADEVRNRRLSELPALENLSELLFDARSALTQQNSWQGEFRSRRKNHEPYWGQLSLSKVYDDLGELTHYIGIYEDITQNKLAQQHIEKLAYRDNLTGLANRHYFIGALEERLESSGDRPLSLLLVDIDNFKRINDSLGHQTGDKLLVSLARRLRSCLGDGATLARFASNEFAVLLDDTAVEKGESIAAQVLHMLDKPLFVDNQLINITGSIGLASAPQHGCDPQTLMKYAGLALHKAKANGKHQVQVFTEALTAEASYKLFVESNLRRALAQNELAVHYQPKLCLRSGQLLGLEALLRWQHPEKGMIRPDRFISVAEETGLIVPIGKWVIREACRQARELAEAGLGELQIAINLSPKQFTDPDLVGSIAAILHEENIPASQLELELTESLLLDATDDTRQQLERLKSLGLTLAMDDFGTGYSSLSYLKKFPIDVIKIDRSFIKDIPDSQDDMEITSAVIAMAHNLKLKVVAEGVESAEQLAFLRRNRCDIGQGYLFDRPIPSDLLNTSLLRYPCRTLH

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 3 GO

Enzyme Commission (EC)

3.1.4.52

Gene Ontology (GO)

GO:0071111 Catalysis of the reaction: cyclic di-3',5'-guanylate + H2O = 5'-phosphoguanylyl(3'->5')guanosine + H+.
GO:0043200 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of an amino acid stimulus. An amino acid is a carboxylic acids containing one or more amino groups.
GO:0005515 Binding to a protein.

Sequence Features

Domain/signature hits from InterPro and related databases.

54 records

Show feature table

Start	End	DB	Term	Name
476	630	SUPERFAMILY	SSF55073	Nucleotide cyclase
476	630	InterPro	IPR029787	Nucleotide cyclase
418	460	SMART	SM00086	pac_2
418	460	InterPro	IPR001610	PAC motif
417	469	ProSiteProfiles	PS50113	PAC domain profile.
417	469	InterPro	IPR000700	PAS-associated, C-terminal
358	459	Pfam	PF13426	PAS domain
358	459	InterPro	IPR000014	PAS domain
644	892	SUPERFAMILY	SSF141868	EAL domain-like
644	892	InterPro	IPR035919	EAL domain superfamily
344	414	ProSiteProfiles	PS50112	PAS repeat profile.
344	414	InterPro	IPR000014	PAS domain
645	884	CDD	cd01948	EAL
645	884	InterPro	IPR001633	EAL domain
640	894	ProSiteProfiles	PS50883	EAL domain profile.
640	894	InterPro	IPR001633	EAL domain
499	631	ProSiteProfiles	PS50887	GGDEF domain profile.
499	631	InterPro	IPR000160	GGDEF domain
646	880	Pfam	PF00563	EAL domain
646	880	InterPro	IPR001633	EAL domain
346	466	NCBIfam	TIGR00229	PAS domain S-box protein
346	466	InterPro	IPR000014	PAS domain
640	894	FunFam	G3DSA:3.20.20.450:FF:000001	Cyclic di-GMP phosphodiesterase yahA
471	624	Pfam	PF00990	Diguanylate cyclase, GGDEF domain
471	624	InterPro	IPR000160	GGDEF domain
642	894	Gene3D	G3DSA:3.20.20.450	EAL domain
642	894	InterPro	IPR035919	EAL domain superfamily
355	457	CDD	cd00130	PAS
355	457	InterPro	IPR000014	PAS domain
471	641	Gene3D	G3DSA:3.30.70.270	-
471	641	InterPro	IPR043128	Reverse transcriptase/Diguanylate cyclase domain
192	343	SMART	SM00065	gaf_1
192	343	InterPro	IPR003018	GAF domain
193	332	Pfam	PF01590	GAF domain
193	332	InterPro	IPR003018	GAF domain
467	628	NCBIfam	TIGR00254	diguanylate cyclase (GGDEF) domain
467	628	InterPro	IPR000160	GGDEF domain
195	335	SUPERFAMILY	SSF55781	GAF domain-like
639	885	SMART	SM00052	duf2_2
639	885	InterPro	IPR001633	EAL domain
166	342	Gene3D	G3DSA:3.30.450.40	-
166	342	InterPro	IPR029016	GAF-like domain superfamily
346	412	SMART	SM00091	pas_2
346	412	InterPro	IPR000014	PAS domain
24	87	SMART	SM00091	pas_2
24	87	InterPro	IPR000014	PAS domain
352	458	SUPERFAMILY	SSF55785	PYP-like sensor domain (PAS domain)
352	458	InterPro	IPR035965	PAS domain superfamily
134	885	PANTHER	PTHR44757	DIGUANYLATE CYCLASE DGCP
460	629	SMART	SM00267	duf1_3
460	629	InterPro	IPR000160	GGDEF domain
472	627	CDD	cd01949	GGDEF
472	627	InterPro	IPR000160	GGDEF domain
345	470	Gene3D	G3DSA:3.30.450.20	PAS domain

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.

Loading 3D structure...

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Structural evidence

0 + 1

Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.

Entry	Method	Resolution	Chain	Coverage	Links	Status
AlphaFold PA5017	AlphaFold	—	—	full sequence	—	Viewing

Pocket details FPocket · P2Rank — toggle visibility and zoom from here, or open full viewer

Pockets (FPOCKET)

Showing top-ranked FPocket candidates by druggability. Druggability is color-coded: high (0.7 or higher), medium (0.4 to 0.69), low (below 0.4).

FPOCKET	Sticks	Spheres	Surfaces	Druggability	Labels	Zoom	Positions
5				0.76
2				0.25

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.

54 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
C2E	3N3T	Q3SJE6	690.4 Da LogP -3.05 TPSA 349.6	3 viol.	✓ Clean	`c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O…`
CYC	4BWI	Q55434	588.7 Da LogP 5.19 TPSA 160.9	2 viol.	✓ Clean	`CC[C@@H]\1[C@H](C(=O)N/C1=C\c2c(c(c([nH]2)/C=C\…`
DAO	6DGG	C9XTL5	200.3 Da LogP 3.99 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)O`
GEY	6DGJ	C9XTL5	198.3 Da LogP 3.77 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCC/C=C\C(=O)O`

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
ZINC100022626	1.000	212.3 Da LogP 4.16 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCC/C=C\C(=O)O`
ZINC12501894	1.000	345.2 Da LogP -1.52 TPSA 174.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@@H]3CO[P@](=O)(O)O[C@@H]…`
ZINC1529498	1.000	200.3 Da LogP 3.99 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)O`
ZINC1530417	1.000	228.4 Da LogP 4.77 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC(=O)O`
ZINC1628119	1.000	214.3 Da LogP 4.38 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC(=O)O`
ZINC1693736	1.000	212.3 Da LogP 4.16 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCC/C=C/C(=O)O`
ZINC2039111479	1.000	212.3 Da LogP 4.16 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCC=CC(=O)O`
ZINC32838980	1.000	226.4 Da LogP 4.55 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCC/C=C/C(=O)O`
ZINC33494013	1.000	345.2 Da LogP -1.52 TPSA 174.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@@H]3CO[P@](=O)(O)O[C@@H]…`
ZINC4095501	1.000	345.2 Da LogP -1.52 TPSA 174.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@@H]3CO[P@](=O)(O)O[C@H]3…`
ZINC88465990	1.000	345.2 Da LogP -1.52 TPSA 174.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2O[C@@H]3CO[P@@](=O)(O)O[C@H]…`
ZINC138457918	0.850	228.3 Da LogP 3.56 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCCCC(=O)O`
ZINC138458029	0.850	228.3 Da LogP 3.56 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCCC(=O)O`
ZINC144395054	0.850	242.4 Da LogP 3.95 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCCCCC(=O)O`
ZINC14619628	0.850	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCCCCCCC(=O)O`
ZINC196749828	0.850	214.3 Da LogP 3.17 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCC(=O)O`
ZINC2113934076	0.850	256.4 Da LogP 4.34 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCCCCC(=O)O`
ZINC2113934082	0.850	256.4 Da LogP 4.34 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCCCCCC(=O)O`
ZINC2113934083	0.850	256.4 Da LogP 4.34 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)CCCCC(=O)O`
ZINC2243670	0.850	228.3 Da LogP 3.56 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCCCC(=O)O`
ZINC2569203	0.850	214.3 Da LogP 3.17 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCCC(=O)O`
ZINC4798470	0.850	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCCCCCC(=O)O`
ZINC5973005	0.850	242.4 Da LogP 3.95 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCCCC(=O)O`
ZINC71418182	0.850	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCCC(=O)CCCCC(=O)O`
ZINC79244776	0.850	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCCCCCCC(=O)O`
ZINC86037082	0.850	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)CCCCCC(=O)O`
ZINC86037089	0.850	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCC(=O)CCCCCCC(=O)O`
ZINC86039283	0.850	242.4 Da LogP 3.95 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCC(=O)CCCCC(=O)O`
ZINC3160730	0.810	214.3 Da LogP 3.17 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCCC(=O)O`
ZINC4582907	0.810	200.3 Da LogP 2.78 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCC(=O)O`
ZINC4727003	0.810	312.4 Da LogP 4.69 TPSA 71.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCC(=O)CCCCCCCC(=O)O`
ZINC86037074	0.810	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)CCCC(=O)O`
ZINC2378801	0.800	200.3 Da LogP 2.78 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCC(=O)O`
ZINC2113934081	0.762	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCC(=O)CCCCCCCCCCC(=O)O`
ZINC2243668	0.762	214.3 Da LogP 3.17 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCC(=O)CCCCCCC(=O)O`
ZINC2378799	0.762	200.3 Da LogP 2.78 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCC(=O)CCCCCC(=O)O`
ZINC33820423	0.762	242.4 Da LogP 3.95 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCC(=O)CCCCCCCCC(=O)O`
ZINC4095503	0.746	330.2 Da LogP -1.11 TPSA 148.8	✓ Ro5	✓ Clean	`O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(O)O…`
ZINC4533542	0.746	330.2 Da LogP -1.11 TPSA 148.8	✓ Ro5	✓ Clean	`O=c1[nH]cnc2c1ncn2[C@H]1O[C@H]2CO[P@](=O)(O)O[C…`
ZINC4533545	0.746	330.2 Da LogP -1.11 TPSA 148.8	✓ Ro5	✓ Clean	`O=c1[nH]cnc2c1ncn2[C@H]1O[C@H]2CO[P@](=O)(O)O[C…`
ZINC2387442	0.739	246.4 Da LogP 4.34 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCSCCCCC(=O)O`
ZINC31778284	0.739	310.4 Da LogP 4.47 TPSA 71.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)/C=C\C(=O)CCCCCCCC(=O)O`
ZINC5540108	0.739	310.4 Da LogP 4.47 TPSA 71.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)/C=C/C(=O)CCCCCCCC(=O)O`
ZINC64633397	0.739	226.4 Da LogP 4.55 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCC/C=C\CCCCCC(=O)O`
ZINC59545317	0.727	200.3 Da LogP 2.78 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCC(=O)O`
ZINC59545320	0.727	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC(=O)CCC(=O)O`
ZINC59545336	0.727	214.3 Da LogP 3.17 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCC(=O)CCC(=O)O`
ZINC100246029	0.708	262.4 Da LogP 3.35 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC[S@](=O)CCCCC(=O)O`
ZINC30726317	0.708	316.5 Da LogP 4.27 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCCCCC[C@@H](O)[C@H](O)CCCCCCCC(=O)O`
ZINC8220964	0.708	316.5 Da LogP 4.27 TPSA 77.8	✓ Ro5	✓ Clean	`CCCCCCCC[C@@H](O)[C@@H](O)CCCCCCCC(=O)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.