Protein profile

PA2769

hypothetical protein

Genome: NC_002516.2

Gene: PA2769 Structure source: AlphaFold UniProt Q9I074

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Amino acids 136

Annotations 1

Features 16

PDB binders 8

Druggability 0.708

Overview

Basic information about this protein and its source genome.

Accession: PA2769
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA2769
Status: annotated
Amino acids: 136
Structure source: AlphaFold

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 (%): 42.975
Human E-value: 3.83e-25
Gut microbiome off-target: hit
Essential (DEG): N
Localization: Unknown

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 0.708

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

MPAPQVGVGVLILRDGKVLLGRRKGSHGAGCWSAPGGHLEFGEAVEDCALREALEETDLALSELRHGPFSNDVFEGRHYLTAFILAGCAEDAEARLMEPDKCDGWAWFDWADLPEPLFAPLASLRRRGYSPFDPKR

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 GO

Gene Ontology (GO)

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.

16 records

Show feature table

Start	End	DB	Term	Name
1	135	Gene3D	G3DSA:3.90.79.10	Nucleoside Triphosphate Pyrophosphohydrolase
46	61	PRINTS	PR00502	NUDIX hydrolase family signature
46	61	InterPro	IPR020476	NUDIX hydrolase
32	46	PRINTS	PR00502	NUDIX hydrolase family signature
32	46	InterPro	IPR020476	NUDIX hydrolase
37	58	ProSitePatterns	PS00893	Nudix box signature.
37	58	InterPro	IPR020084	NUDIX hydrolase, conserved site
3	134	ProSiteProfiles	PS51462	Nudix hydrolase domain profile.
3	134	InterPro	IPR000086	NUDIX hydrolase domain
4	128	SUPERFAMILY	SSF55811	Nudix
4	128	InterPro	IPR015797	NUDIX hydrolase-like domain superfamily
4	126	CDD	cd04678	Nudix_Hydrolase_19
1	135	FunFam	G3DSA:3.90.79.10:FF:000060	Nudix hydrolase 1
2	133	PANTHER	PTHR16099	8-OXO-DGTP DIPHOSPHATES NUDT15
5	119	Pfam	PF00293	NUDIX domain
5	119	InterPro	IPR000086	NUDIX hydrolase 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 PA2769	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				0.708

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.

59 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
2GE	5MZG	P53368	295.2 Da LogP 3.61 TPSA 63.8	✓ Ro5	✓ Clean	`c1cc(c(c(c1)Cl)Cl)c2cc(nc(n2)N)NC3CC3`
2ME	5WWD	Q9CA40	60.1 Da LogP 0.65 TPSA 9.2	✓ Ro5	✓ Clean	`CCOC`
6OG	5OTN	Q7ZWC3	361.3 Da LogP -0.83 TPSA 175.1	✓ Ro5	✓ Clean	`COc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO…`
71V	5LPG	Q9NV35	379.3 Da LogP -1.57 TPSA 186.1	2 viol.	✓ Clean	`c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O…`
8DG	5MZE	P53368	523.2 Da LogP -2.01 TPSA 298.8	3 viol.	✓ Clean	`C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=…`
GPP	6YPF	M4I1C6	314.2 Da LogP 2.91 TPSA 113.3	✓ Ro5	✓ Clean	`CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C`
IPR	6DBZ	Q9CA40	248.1 Da LogP 1.26 TPSA 113.3	✓ Ro5	✓ Clean	`CC(C)CCO[P@@](=O)(O)OP(=O)(O)O`
NH4	5WWD	Q9CA40	18.0 Da LogP 0.38 TPSA 36.5	✓ Ro5	✓ Clean	`[NH4+]`

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
MKB	Q9NV35	7.60	426.5 Da LogP 1.75 TPSA 119.5	✓ Ro5	✓ Clean	`c1cc2c(cc[nH]2)cc1C(=O)N3CCN(CC3)S(=O)(=O)c4ccc…`

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
ZINC8215849	1.000	314.2 Da LogP 2.91 TPSA 113.3	✓ Ro5	✓ Clean	`CC(C)=CCC/C(C)=C/CO[P@@](=O)(O)OP(=O)(O)O`
ZINC98208168	1.000	295.2 Da LogP 3.61 TPSA 63.8	✓ Ro5	✓ Clean	`Nc1nc(NC2CC2)cc(-c2cccc(Cl)c2Cl)n1`
ZINC12494625	0.969	382.3 Da LogP 4.63 TPSA 113.3	✓ Ro5	✓ Clean	`CC(C)=CCC/C(C)=C/CC/C(C)=C/CO[P@@](=O)(O)OP(=O)…`
ZINC2356589248	0.969	382.3 Da LogP 4.63 TPSA 113.3	✓ Ro5	✓ Clean	`CC(C)=CCCC(C)=CCCC(C)=CCO[P@](=O)(O)OP(=O)(O)O`
ZINC34661063	0.939	394.2 Da LogP 3.02 TPSA 159.8	✓ Ro5	✓ Clean	`CC(C)=CCC/C(C)=C/CO[P@@](=O)(O)O[P@@](=O)(O)OP(…`
ZINC8218174	0.912	462.3 Da LogP 4.75 TPSA 159.8	✓ Ro5	✓ Clean	`CC(C)=CCC/C(C)=C/CC/C(C)=C/CO[P@@](=O)(O)O[P@@]…`
ZINC1532829	0.758	234.2 Da LogP 2.79 TPSA 66.8	✓ Ro5	✓ Clean	`CC(C)=CCC/C(C)=C/COP(=O)(O)O`
ZINC13099244	0.750	281.3 Da LogP -0.94 TPSA 128.5	✓ Ro5	✓ Clean	`COc1nc(N)nc2c1ncn2[C@@H]1C[C@@H](O)[C@@H](CO)O1`
ZINC1320041	0.750	281.3 Da LogP -0.94 TPSA 128.5	✓ Ro5	✓ Clean	`COc1nc(N)nc2c1ncn2[C@@H]1C[C@H](O)[C@@H](CO)O1`
ZINC4557107	0.750	281.3 Da LogP -0.94 TPSA 128.5	✓ Ro5	✓ Clean	`COc1nc(N)nc2c1ncn2[C@@H]1C[C@H](O)[C@H](CO)O1`
ZINC4557108	0.750	281.3 Da LogP -0.94 TPSA 128.5	✓ Ro5	✓ Clean	`COc1nc(N)nc2c1ncn2[C@H]1C[C@H](O)[C@H](CO)O1`
ZINC4557109	0.750	281.3 Da LogP -0.94 TPSA 128.5	✓ Ro5	✓ Clean	`COc1nc(N)nc2c1ncn2[C@H]1C[C@@H](O)[C@H](CO)O1`
ZINC57411	0.750	281.3 Da LogP -0.94 TPSA 128.5	✓ Ro5	✓ Clean	`COc1nc(N)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1`
ZINC902207	0.750	281.3 Da LogP -0.94 TPSA 128.5	✓ Ro5	✓ Clean	`COc1nc(N)nc2c1ncn2[C@@H]1C[C@@H](O)[C@H](CO)O1`
ZINC2556391	0.735	302.4 Da LogP 4.51 TPSA 66.8	✓ Ro5	✓ Clean	`CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)O`
ZINC8215740	0.719	246.1 Da LogP 1.18 TPSA 113.3	✓ Ro5	✓ Clean	`CC(C)=CCO[P@@](=O)(O)OP(=O)(O)O`
ZINC2080583270	0.705	426.5 Da LogP 2.16 TPSA 119.7	✓ Ro5	✓ Clean	`O=C(c1ccc2[nH]ccc2c1)N1CCN(S(=O)(=O)c2ccc3nc(O)…`
ZINC98208167	0.690	269.1 Da LogP 3.07 TPSA 63.8	✓ Ro5	✓ Clean	`CNc1cc(-c2cccc(Cl)c2Cl)nc(N)n1`
ZINC71769106	0.676	326.1 Da LogP 1.30 TPSA 159.8	✓ Ro5	✓ Clean	`CC(C)=CCO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O`
ZINC12502182	0.667	283.2 Da LogP -2.36 TPSA 159.2	✓ Ro5	✓ Clean	`Nc1nc2c([nH]c(=O)n2[C@@H]2C[C@@H](O)[C@@H](CO)O…`
ZINC12502183	0.667	283.2 Da LogP -2.36 TPSA 159.2	✓ Ro5	✓ Clean	`Nc1nc2c([nH]c(=O)n2[C@H]2C[C@@H](O)[C@@H](CO)O2…`
ZINC12502185	0.667	283.2 Da LogP -2.36 TPSA 159.2	✓ Ro5	✓ Clean	`Nc1nc2c([nH]c(=O)n2[C@@H]2C[C@H](O)[C@@H](CO)O2…`
ZINC16051666	0.667	283.2 Da LogP -2.36 TPSA 159.2	✓ Ro5	✓ Clean	`Nc1nc2c([nH]c(=O)n2[C@H]2C[C@H](O)[C@@H](CO)O2)…`
ZINC2510814	0.667	283.2 Da LogP -2.36 TPSA 159.2	✓ Ro5	✓ Clean	`Nc1nc2c([nH]c(=O)n2[C@@H]2C[C@@H](O)[C@H](CO)O2…`
ZINC4533532	0.667	283.2 Da LogP -2.36 TPSA 159.2	✓ Ro5	✓ Clean	`Nc1nc2c([nH]c(=O)n2[C@@H]2C[C@H](O)[C@H](CO)O2)…`
ZINC12296728	0.661	347.2 Da LogP -1.54 TPSA 185.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@H]2C[C@@H](O)[C@@H](COP(=O)(O)O)…`
ZINC13527599	0.661	347.2 Da LogP -1.54 TPSA 185.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2C[C@@H](O)[C@@H](COP(=O)(O)O…`
ZINC13527603	0.661	347.2 Da LogP -1.54 TPSA 185.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2C[C@H](O)[C@@H](COP(=O)(O)O)…`
ZINC1532627	0.661	347.2 Da LogP -1.54 TPSA 185.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2C[C@@H](O)[C@H](COP(=O)(O)O)…`
ZINC1730395	0.661	347.2 Da LogP -1.54 TPSA 185.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O…`
ZINC3869846	0.661	347.2 Da LogP -1.54 TPSA 185.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2C[C@H](O)[C@H](COP(=O)(O)O)O…`
ZINC3869847	0.661	347.2 Da LogP -1.54 TPSA 185.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@H](COP(=O)(O)O)O2…`
ZINC3869848	0.661	347.2 Da LogP -1.54 TPSA 185.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@H]2C[C@@H](O)[C@H](COP(=O)(O)O)O…`
ZINC71404870	0.657	230.3 Da LogP 4.23 TPSA 26.3	✓ Ro5	✓ Clean	`CC(C)=CCC/C(C)=C/COP(C)(C)=O`
ZINC8436838	0.657	262.1 Da LogP 0.15 TPSA 133.5	✓ Ro5	✓ Clean	`C/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)CO`
ZINC12958401	0.650	331.2 Da LogP -0.83 TPSA 165.8	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1C[C@@H](O)[C@@H](COP(=O)(O)…`
ZINC13538980	0.650	331.2 Da LogP -0.83 TPSA 165.8	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1C[C@@H](O)[C@@H](COP(=O)(O…`
ZINC13538982	0.650	331.2 Da LogP -0.83 TPSA 165.8	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1C[C@H](O)[C@@H](COP(=O)(O)…`
ZINC1532626	0.650	331.2 Da LogP -0.83 TPSA 165.8	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1C[C@@H](O)[C@H](COP(=O)(O)…`
ZINC1713574	0.650	331.2 Da LogP -0.83 TPSA 165.8	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O…`
ZINC3869813	0.650	331.2 Da LogP -0.83 TPSA 165.8	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1C[C@H](O)[C@H](COP(=O)(O)O…`
ZINC3869814	0.650	331.2 Da LogP -0.83 TPSA 165.8	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@H](COP(=O)(O)O)…`
ZINC3869815	0.650	331.2 Da LogP -0.83 TPSA 165.8	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1C[C@@H](O)[C@H](COP(=O)(O)O…`
ZINC8829130	0.639	377.4 Da LogP 0.86 TPSA 116.8	✓ Ro5	✓ Clean	`O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2…`
ZINC13539354	0.632	332.2 Da LogP 3.20 TPSA 113.3	✓ Ro5	✓ Clean	`CC(C)=CCC/C(C)=C(\F)CO[P@](=O)(O)OP(=O)(O)O`
ZINC14963209	0.623	295.3 Da LogP -0.55 TPSA 128.5	✓ Ro5	✓ Clean	`CCOc1nc(N)nc2c1ncn2[C@@H]1C[C@@H](O)[C@@H](CO)O1`
ZINC14963217	0.623	295.3 Da LogP -0.55 TPSA 128.5	✓ Ro5	✓ Clean	`CCOc1nc(N)nc2c1ncn2[C@@H]1C[C@H](O)[C@@H](CO)O1`
ZINC1763215	0.623	295.3 Da LogP -0.55 TPSA 128.5	✓ Ro5	✓ Clean	`CCOc1nc(N)nc2c1ncn2[C@@H]1C[C@H](O)[C@H](CO)O1`
ZINC5353141	0.623	295.3 Da LogP -0.55 TPSA 128.5	✓ Ro5	✓ Clean	`CCOc1nc(N)nc2c1ncn2[C@@H]1C[C@@H](O)[C@H](CO)O1`
ZINC4531687	0.613	332.2 Da LogP -1.12 TPSA 159.8	✓ Ro5	✓ Clean	`O=c1[nH]cnc2c1ncn2[C@H]1C[C@@H](O)[C@H](COP(=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.