Protein profile

PA0142

8-oxoguanine deaminase

Genome: NC_002516.2

Gene: PA0142 Structure source: AlphaFold UniProt Q9I6Z0

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Amino acids 449

Annotations 7

Features 13

PDB binders 7

Druggability 0.725

Overview

Basic information about this protein and its source genome.

Accession: PA0142
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA0142
Status: annotated
Amino acids: 449
Structure source: AlphaFold

3.5.4.32

GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes. GO:0102127 Catalysis of the reaction: H+ + 7,8-dihydro-8-oxoguanine + H2O = 7,9-dihydro-1H-purine-2,6,8(3H)-trione + ammonium. GO:0019239 Catalysis of the removal of an amino group from a substrate, producing a substituted or nonsubstituted ammonia (NH4+/NH2R). GO:0046872 Binding to a metal ion. GO:0016810 Catalysis of the hydrolysis of any carbon-nitrogen bond, C-N, with the exception of peptide bonds. GO:0016787 Catalysis of the hydrolysis of various bonds, e.g. C-O, C-N, C-C, phosphoric anhydride bonds, etc.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 30.081
Human E-value: 4.44e-08
Gut microbiome off-target: hit
Essential (DEG): N
Localization: Cytoplasmic

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 0.725

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

MSRTWIRNPLAIFTANGLDAAGGLVVEDGRIVELLGAGQQPAQPCASQFDASRHVVLPGLVNTHHHFYQTLTRAWAPVVNQPLFPWLKTLYPVWARLTPEKLELATKVALAELLLSGCTTAADHHYLFPGGLEQAIDVQAGVVEELGMRAMLTRGSMSLGEKDGGLPPQQTVQEAETILADSERLIARYHQRGDGARVQIALAPCSPFSVTPEIMRASAEVAARHDVRLHTHLAETLDEEDFCLQRFGLRTVDYLDSVGWLGPRTWLAHGIHFNAEEIRRLGEAGTGICHCPSSNMRLASGICPTVELEAAGAPIGLGVDGSASNDASNMILEARQALYLQRLRYGAERITPELALGWATRGSARLLGRSDIGELAPGKQADLALFKLDELRFSGSHDPLSALLLCAADRADRVMVGGAWRVVDGAVEGLDLAALIARHRAAASALIAG

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 6 GO

Enzyme Commission (EC)

3.5.4.32

Gene Ontology (GO)

GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
GO:0102127 Catalysis of the reaction: H+ + 7,8-dihydro-8-oxoguanine + H2O = 7,9-dihydro-1H-purine-2,6,8(3H)-trione + ammonium.
GO:0019239 Catalysis of the removal of an amino group from a substrate, producing a substituted or nonsubstituted ammonia (NH4+/NH2R).
GO:0046872 Binding to a metal ion.
GO:0016810 Catalysis of the hydrolysis of any carbon-nitrogen bond, C-N, with the exception of peptide bonds.
GO:0016787 Catalysis of the hydrolysis of various bonds, e.g. C-O, C-N, C-C, phosphoric anhydride bonds, etc.

Sequence Features

Domain/signature hits from InterPro and related databases.

13 records

Show feature table

Start	End	DB	Term	Name
55	418	Pfam	PF01979	Amidohydrolase family
55	418	InterPro	IPR006680	Amidohydrolase-related
4	427	CDD	cd01298	ATZ_TRZ_like
58	372	SUPERFAMILY	SSF51556	Metallo-dependent hydrolases
58	372	InterPro	IPR032466	Metal-dependent hydrolase
59	367	FunFam	G3DSA:3.20.20.140:FF:000014	5-methylthioadenosine/S-adenosylhomocysteine deaminase
172	192	Coils	Coil	Coil
22	420	Gene3D	G3DSA:2.30.40.10	Urease, subunit C, domain 1
22	420	InterPro	IPR011059	Metal-dependent hydrolase, composite domain superfamily
59	373	Gene3D	G3DSA:3.20.20.140	-
21	446	PANTHER	PTHR43794	AMINOHYDROLASE SSNA-RELATED
4	446	SUPERFAMILY	SSF51338	Composite domain of metallo-dependent hydrolases
4	446	InterPro	IPR011059	Metal-dependent hydrolase, composite domain superfamily

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 PA0142	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
1				0.725

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.

58 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
AOO	3LSC	Q6SJY7	211.3 Da LogP 1.13 TPSA 72.0	✓ Ro5	✓ Clean	`CCNc1nc(nc(n1)OC)NC(C)C`
MCF	4GBD	Q9HZ64	314.4 Da LogP -0.84 TPSA 112.1	✓ Ro5	✓ Clean	`CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=CNC[C…`
MTA	4F0R	Q7NZ90	297.3 Da LogP -0.61 TPSA 119.3	✓ Ro5	✓ Clean	`CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)…`
NOS	4F0S	Q7NZ90	268.2 Da LogP -2.27 TPSA 133.5	✓ Ro5	✓ Clean	`c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=…`
RYN	3LSB	Q6SJY7	227.3 Da LogP 1.85 TPSA 62.7	✓ Ro5	✓ Clean	`CCNc1nc(nc(n1)SC)NC(C)C`
SIB	2PLM	Q9X034	385.4 Da LogP -1.73 TPSA 176.6	✓ Ro5	✓ Clean	`c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H…`
TXC	4AQL	Q9Y2T3	324.3 Da LogP -0.80 TPSA 151.1	✓ Ro5	✓ Clean	`CC(C)[C@@H](C(=O)OCCOCn1cnc2c1N=C(NC2=O)N)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).

Ligand	UniProt (homolog)	pchembl	MW · LogP · TPSA	Lipinski	PAINS	SMILES
CHEMBL321248	Q9Y2T3	—	166.1 Da LogP -1.05 TPSA 83.5	✓ Ro5	✓ Clean	`Cn1cnc2[nH]c(=O)[nH]c(=O)c21`

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
ZINC1530713	1.000	324.3 Da LogP -0.80 TPSA 151.1	✓ Ro5	✓ Clean	`CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21`
ZINC1635497	1.000	211.3 Da LogP 1.13 TPSA 72.0	✓ Ro5	✓ Clean	`CCNc1nc(NC(C)C)nc(OC)n1`
ZINC1851155	1.000	324.3 Da LogP -0.80 TPSA 151.1	✓ Ro5	✓ Clean	`CC(C)[C@@H](N)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21`
ZINC85378	1.000	227.3 Da LogP 1.85 TPSA 62.7	✓ Ro5	✓ Clean	`CCNc1nc(NC(C)C)nc(SC)n1`
ZINC1890104	0.849	338.4 Da LogP -0.41 TPSA 151.1	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)…`
ZINC22047773	0.843	296.3 Da LogP -1.43 TPSA 151.1	✓ Ro5	✓ Clean	`C[C@H](N)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21`
ZINC32064000	0.782	338.4 Da LogP -0.41 TPSA 151.1	✓ Ro5	✓ Clean	`CC(C)C[C@H](N)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21`
ZINC77270552	0.768	338.4 Da LogP -0.54 TPSA 137.1	✓ Ro5	✓ Clean	`CN[C@H](C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21)C(C)C`
ZINC12501055	0.763	384.4 Da LogP -1.44 TPSA 182.6	1 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)…`
ZINC13509082	0.763	384.4 Da LogP -1.44 TPSA 182.6	1 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](CSCC[C@@H](N)C(=O)O…`
ZINC13509104	0.763	384.4 Da LogP -1.44 TPSA 182.6	1 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@@H](N)C(=O)O…`
ZINC1532516	0.763	384.4 Da LogP -1.44 TPSA 182.6	1 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](CSCC[C@H](N)C(=O)O)…`
ZINC33821012	0.763	384.4 Da LogP -1.44 TPSA 182.6	1 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)…`
ZINC33821013	0.763	384.4 Da LogP -1.44 TPSA 182.6	1 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)…`
ZINC4228232	0.763	384.4 Da LogP -1.44 TPSA 182.6	1 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)…`
ZINC45789230	0.763	384.4 Da LogP -1.44 TPSA 182.6	1 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CSCC[C@H](N)C(=O)O…`
ZINC45789233	0.763	384.4 Da LogP -1.44 TPSA 182.6	1 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@H](CSCC[C@H](N)C(=O)O)[…`
ZINC2012987	0.758	225.3 Da LogP 1.52 TPSA 72.0	✓ Ro5	✓ Clean	`CCNc1nc(N[C@H](C)CC)nc(OC)n1`
ZINC2012989	0.758	225.3 Da LogP 1.52 TPSA 72.0	✓ Ro5	✓ Clean	`CCNc1nc(N[C@@H](C)CC)nc(OC)n1`
ZINC2015372	0.758	255.4 Da LogP 2.48 TPSA 62.7	✓ Ro5	✓ Clean	`CCNc1nc(N[C@@H](C)C(C)C)nc(SC)n1`
ZINC2015373	0.758	255.4 Da LogP 2.48 TPSA 62.7	✓ Ro5	✓ Clean	`CCNc1nc(N[C@H](C)C(C)C)nc(SC)n1`
ZINC1635499	0.750	241.4 Da LogP 2.23 TPSA 62.7	✓ Ro5	✓ Clean	`CSc1nc(NC(C)C)nc(NC(C)C)n1`
ZINC1635501	0.750	213.3 Da LogP 1.46 TPSA 62.7	✓ Ro5	✓ Clean	`CCNc1nc(NCC)nc(SC)n1`
ZINC2011064	0.750	224.3 Da LogP 1.56 TPSA 74.8	✓ Ro5	✓ Clean	`CCNc1nc(NCC)nc(NC(C)C)n1`
ZINC246221	0.750	225.3 Da LogP 1.52 TPSA 72.0	✓ Ro5	✓ Clean	`COc1nc(NC(C)C)nc(NC(C)C)n1`
ZINC2472817	0.750	267.2 Da LogP -0.76 TPSA 125.1	✓ Ro5	✓ Clean	`CC(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21`
ZINC35900202	0.741	352.4 Da LogP -1.01 TPSA 154.2	✓ Ro5	✓ Clean	`CC(C)[C@H](NC=O)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc…`
ZINC77270545	0.741	352.4 Da LogP -0.15 TPSA 137.1	✓ Ro5	✓ Clean	`CCN[C@H](C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21)C(C)C`
ZINC209232	0.727	239.3 Da LogP 1.91 TPSA 72.0	✓ Ro5	✓ Clean	`CCNc1nc(NC(C)C)nc(OC(C)C)n1`
ZINC272227	0.727	225.3 Da LogP 1.52 TPSA 72.0	✓ Ro5	✓ Clean	`CCNc1nc(NC(C)C)nc(OCC)n1`
ZINC11616801	0.695	354.4 Da LogP -1.44 TPSA 171.4	✓ Ro5	✓ Clean	`CC(C)[C@@H](N)C(=O)OC[C@H](CO)OCn1cnc2c(=O)[nH]…`
ZINC1543916	0.695	354.4 Da LogP -1.44 TPSA 171.4	✓ Ro5	✓ Clean	`CC(C)[C@H](N)C(=O)OC[C@@H](CO)OCn1cnc2c(=O)[nH]…`
ZINC1995484	0.695	354.4 Da LogP -1.44 TPSA 171.4	✓ Ro5	✓ Clean	`CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c(=O)[nH]c…`
ZINC1530555	0.686	225.2 Da LogP -1.33 TPSA 119.0	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2COCCO)c(=O)[nH]1`
ZINC22052922	0.683	424.5 Da LogP 0.77 TPSA 163.4	✓ Ro5	✓ Clean	`CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCCOCn1cnc2c(=…`
ZINC34391297	0.683	424.5 Da LogP 0.77 TPSA 163.4	✓ Ro5	✓ Clean	`CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCCOCn1cnc2c(=O…`
ZINC104646465	0.672	298.3 Da LogP -0.90 TPSA 113.3	✓ Ro5	✓ Clean	`CSC[C@@H]1O[C@H](n2cnc3c(=O)[nH]cnc32)[C@H](O)[…`
ZINC104896921	0.672	298.3 Da LogP -0.90 TPSA 113.3	✓ Ro5	✓ Clean	`CSC[C@@H]1O[C@H](n2cnc3c(=O)[nH]cnc32)[C@@H](O)…`
ZINC13508805	0.672	298.3 Da LogP -0.90 TPSA 113.3	✓ Ro5	✓ Clean	`CSC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@@H](O…`
ZINC13508807	0.672	298.3 Da LogP -0.90 TPSA 113.3	✓ Ro5	✓ Clean	`CSC[C@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@@H](O)…`
ZINC13508809	0.672	298.3 Da LogP -0.90 TPSA 113.3	✓ Ro5	✓ Clean	`CSC[C@@H]1O[C@H](n2cnc3c(=O)[nH]cnc32)[C@@H](O)…`
ZINC28542039	0.672	298.3 Da LogP -0.90 TPSA 113.3	✓ Ro5	✓ Clean	`CSC[C@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@@H](O)…`
ZINC34328902	0.672	298.3 Da LogP -0.90 TPSA 113.3	✓ Ro5	✓ Clean	`CSC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@@H](O…`
ZINC2040064	0.656	213.3 Da LogP 1.46 TPSA 62.7	✓ Ro5	✓ Clean	`CNc1nc(NC(C)C)nc(SC)n1`
ZINC2267469	0.649	257.4 Da LogP 1.21 TPSA 83.0	✓ Ro5	✓ Clean	`CCNc1nc(NC(C)C)nc(SCCO)n1`
ZINC2270177	0.649	241.3 Da LogP 0.49 TPSA 92.2	✓ Ro5	✓ Clean	`CCNc1nc(NC(C)C)nc(OCCO)n1`
ZINC2569523	0.643	305.2 Da LogP -1.21 TPSA 165.6	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2COCCOP(=O)(O)O)c(=O)[nH]1`
ZINC34036729	0.642	458.5 Da LogP 1.17 TPSA 163.4	✓ Ro5	✓ Clean	`CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCCOCn1cnc2c(=…`
ZINC1674993	0.640	296.4 Da LogP 0.06 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](CCSCCSCC[C@H](N)C(=O)O)C(=O)O`
ZINC1674996	0.640	296.4 Da LogP 0.06 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@H](CCSCCSCC[C@@H](N)C(=O)O)C(=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.