Protein profile

PA3066

hypothetical protein

Genome: NC_002516.2

Gene: PA3066 Structure source: AlphaFold UniProt Q9HZE2

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Amino acids 190

Annotations 1

Features 9

PDB binders 5

Druggability 0.732

Overview

Basic information about this protein and its source genome.

Accession: PA3066
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA3066
Status: annotated
Amino acids: 190
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: No hit
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 0.732

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

MNTALIGLDYIVDIMHPDGRIARCAEQAALRGVVARFNRALAVAEQRGWLRIAVRVGFEPGYPDLPEHSPIFAAAQALGALDLCGRGCAFHPDLKRDAVQMEVLKPRISAFYATRLEAVLRARRIERLVLAGVSTTWAVQAAARDAHDRDYQVLVLEEACAAASDEEHRRSIEVLGGIARIVTLDQLAAL

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.

9 records

Show feature table

Start	End	DB	Term	Name
2	188	SUPERFAMILY	SSF52499	Isochorismatase-like hydrolases
2	188	InterPro	IPR036380	Isochorismatase-like superfamily
2	188	PANTHER	PTHR43540	PEROXYUREIDOACRYLATE/UREIDOACRYLATE AMIDOHYDROLASE-RELATED
4	175	CDD	cd00431	cysteine_hydrolases
1	190	Gene3D	G3DSA:3.40.50.850	-
1	190	InterPro	IPR036380	Isochorismatase-like superfamily
3	181	Pfam	PF00857	Isochorismatase family
3	181	InterPro	IPR000868	Isochorismatase-like
1	190	FunFam	G3DSA:3.40.50.850:FF:000016	Cysteine hydrolase

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 PA3066	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				0.732

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.

55 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
BTB	5BK6	Q1M7F4	209.2 Da LogP -3.01 TPSA 104.4	✓ Ro5	✓ Clean	`C(CO)N(CCO)C(CO)(CO)CO`
C5J	6XJM	H8ZKV9	103.1 Da LogP -1.27 TPSA 98.2	✓ Ro5	✓ Clean	`C(=O)(N)NC(=O)N`
CAD	3S2S	Q8DSG2	138.0 Da LogP 0.11 TPSA 37.3	✓ Ro5	✓ Clean	`C[As](=O)(C)O`
NCA	3O94	A0A0H2UR34	122.1 Da LogP 0.18 TPSA 56.0	✓ Ro5	✓ Clean	`c1cc(cnc1)C(=O)N`
NH4	3HB7	A6TWT6	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).

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
ZINC1615342	1.000	209.2 Da LogP -3.01 TPSA 104.4	✓ Ro5	✓ Clean	`OCCN(CCO)C(CO)(CO)CO`
ZINC1592410	0.708	212.2 Da LogP 1.54 TPSA 59.9	✓ Ro5	Alert	`O=C(C(=O)c1cccnc1)c1cccnc1`
ZINC116431	0.636	241.2 Da LogP 1.43 TPSA 85.1	✓ Ro5	✓ Clean	`NC(=O)c1ccc(NC(=O)c2cccnc2)cc1`
ZINC10030294	0.618	241.2 Da LogP 1.43 TPSA 85.1	✓ Ro5	✓ Clean	`NC(=O)c1cccc(NC(=O)c2cccnc2)c1`
ZINC8379324	0.618	284.3 Da LogP 0.53 TPSA 128.2	✓ Ro5	✓ Clean	`NC(=O)c1cc(NC(=O)c2cccnc2)cc(C(N)=O)c1`
ZINC100083979	0.607	226.2 Da LogP 1.93 TPSA 59.9	✓ Ro5	✓ Clean	`O=C(CC(=O)c1cccnc1)c1cccnc1`
ZINC95951757	0.607	240.3 Da LogP 0.50 TPSA 102.5	✓ Ro5	✓ Clean	`N/C(=N\N=C(/N)c1cccnc1)c1cccnc1`
ZINC1698713	0.600	272.3 Da LogP 1.49 TPSA 78.4	✓ Ro5	✓ Clean	`O=C(OCCOC(=O)c1cccnc1)c1cccnc1`
ZINC100077468	0.567	225.2 Da LogP 2.54 TPSA 47.0	✓ Ro5	✓ Clean	`O=C(CC(=O)c1cccnc1)c1ccccc1`
ZINC101814612	0.563	225.2 Da LogP 2.86 TPSA 50.2	✓ Ro5	✓ Clean	`O=C(/C=C(\O)c1cccnc1)c1ccccc1`
ZINC1997173	0.563	286.3 Da LogP 1.88 TPSA 78.4	✓ Ro5	✓ Clean	`O=C(OCCCOC(=O)c1cccnc1)c1cccnc1`
ZINC127526	0.556	241.2 Da LogP 1.43 TPSA 85.1	✓ Ro5	✓ Clean	`NC(=O)c1ccccc1NC(=O)c1cccnc1`
ZINC1582115	0.548	270.3 Da LogP 0.64 TPSA 84.0	✓ Ro5	✓ Clean	`O=C(NCCNC(=O)c1cccnc1)c1cccnc1`
ZINC241589	0.548	200.2 Da LogP 1.70 TPSA 52.1	✓ Ro5	✓ Clean	`O=C(Oc1cccnc1)c1cccnc1`
ZINC3077252	0.548	318.3 Da LogP 2.98 TPSA 84.0	✓ Ro5	✓ Clean	`O=C(Nc1ccc(NC(=O)c2cccnc2)cc1)c1cccnc1`
ZINC3150114	0.548	296.3 Da LogP 1.07 TPSA 66.4	✓ Ro5	✓ Clean	`O=C(c1cccnc1)N1CCN(C(=O)c2cccnc2)CC1`
ZINC65751	0.545	318.3 Da LogP 2.98 TPSA 84.0	✓ Ro5	✓ Clean	`O=C(Nc1cccc(NC(=O)c2cccnc2)c1)c1cccnc1`
ZINC8288513	0.545	348.4 Da LogP 3.19 TPSA 78.4	✓ Ro5	✓ Clean	`O=C(OCc1ccc(COC(=O)c2cccnc2)cc1)c1cccnc1`
ZINC18161669	0.543	241.3 Da LogP 1.56 TPSA 77.6	✓ Ro5	✓ Clean	`N/C(=N\OC(=O)c1ccccc1)c1cccnc1`
ZINC82205	0.543	204.3 Da LogP 2.00 TPSA 56.0	✓ Ro5	✓ Clean	`CC(C)(C)C(=O)/C=C(\N)c1cccnc1`
ZINC152815394	0.541	242.2 Da LogP 0.83 TPSA 98.0	✓ Ro5	✓ Clean	`NC(=O)c1cccc(NC(=O)c2cccnc2)n1`
ZINC1722453	0.531	225.2 Da LogP 2.52 TPSA 47.0	✓ Ro5	✓ Clean	`CC(=O)c1ccc(C(=O)c2cccnc2)cc1`
ZINC235763	0.531	201.2 Da LogP 2.45 TPSA 30.0	✓ Ro5	✓ Clean	`O=C(c1ccc(F)cc1)c1cccnc1`
ZINC2584594	0.531	262.1 Da LogP 3.08 TPSA 30.0	✓ Ro5	✓ Clean	`O=C(c1ccc(Br)cc1)c1cccnc1`
ZINC2748110	0.531	318.3 Da LogP 2.98 TPSA 84.0	✓ Ro5	✓ Clean	`O=C(Nc1ccccc1NC(=O)c1cccnc1)c1cccnc1`
ZINC394834	0.531	217.7 Da LogP 2.97 TPSA 30.0	✓ Ro5	✓ Clean	`O=C(c1ccc(Cl)cc1)c1cccnc1`
ZINC45028795	0.531	252.1 Da LogP 3.62 TPSA 30.0	✓ Ro5	✓ Clean	`O=C(c1cccnc1)c1c(Cl)cccc1Cl`
ZINC45028802	0.531	211.3 Da LogP 2.93 TPSA 30.0	✓ Ro5	✓ Clean	`Cc1cccc(C)c1C(=O)c1cccnc1`
ZINC103568534	0.529	226.2 Da LogP 2.26 TPSA 63.1	✓ Ro5	✓ Clean	`O=C(/C=C(\O)c1cccnc1)c1ccncc1`
ZINC13208874	0.529	214.2 Da LogP 1.83 TPSA 52.1	✓ Ro5	✓ Clean	`O=C(OCc1cccnc1)c1cccnc1`
ZINC1714962	0.529	302.3 Da LogP 0.85 TPSA 98.6	✓ Ro5	✓ Clean	`O=C(OCC(O)COC(=O)c1cccnc1)c1cccnc1`
ZINC5013042	0.528	242.2 Da LogP 0.95 TPSA 90.5	✓ Ro5	✓ Clean	`N/C(=N\OC(=O)c1ccncc1)c1cccnc1`
ZINC47360984	0.526	228.3 Da LogP 1.76 TPSA 65.2	✓ Ro5	✓ Clean	`NC(=O)c1cccc(OCc2cccnc2)c1`
ZINC2334905	0.522	261.4 Da LogP 1.10 TPSA 63.9	✓ Ro5	✓ Clean	`CC(C)CCN(CCC(C)C)C(CO)(CO)CO`
ZINC3159953	0.522	261.4 Da LogP 1.38 TPSA 63.9	✓ Ro5	✓ Clean	`CCCCCN(CCCCC)C(CO)(CO)CO`
ZINC1541026	0.515	284.3 Da LogP 1.03 TPSA 84.0	✓ Ro5	✓ Clean	`O=C(NCCCNC(=O)c1cccnc1)c1cccnc1`
ZINC1541027	0.515	298.3 Da LogP 1.42 TPSA 84.0	✓ Ro5	✓ Clean	`O=C(NCCCCNC(=O)c1cccnc1)c1cccnc1`
ZINC2382313354	0.515	340.4 Da LogP 4.27 TPSA 59.9	✓ Ro5	✓ Clean	`O=C(C=Cc1ccc(C=CC(=O)c2cccnc2)cc1)c1cccnc1`
ZINC25692080	0.515	340.4 Da LogP 4.27 TPSA 59.9	✓ Ro5	✓ Clean	`O=C(/C=C\c1ccc(/C=C/C(=O)c2cccnc2)cc1)c1cccnc1`
ZINC3153101	0.515	274.3 Da LogP 4.06 TPSA 33.2	✓ Ro5	✓ Clean	`O=C(c1cccnc1)N(c1ccccc1)c1ccccc1`
ZINC34403957	0.515	259.3 Da LogP 3.98 TPSA 30.0	✓ Ro5	✓ Clean	`O=C(c1ccc(-c2ccccc2)cc1)c1cccnc1`
ZINC3654376	0.515	200.2 Da LogP 1.12 TPSA 67.8	✓ Ro5	✓ Clean	`O=C(Nc1ncccn1)c1cccnc1`
ZINC37745990	0.515	211.3 Da LogP 2.93 TPSA 30.0	✓ Ro5	✓ Clean	`Cc1cc(C)cc(C(=O)c2cccnc2)c1`
ZINC394119	0.515	206.3 Da LogP 2.34 TPSA 33.2	✓ Ro5	✓ Clean	`CC(C)N(C(=O)c1cccnc1)C(C)C`
ZINC45028796	0.515	252.1 Da LogP 3.62 TPSA 30.0	✓ Ro5	✓ Clean	`O=C(c1cccnc1)c1cc(Cl)cc(Cl)c1`
ZINC4566998	0.515	340.4 Da LogP 4.27 TPSA 59.9	✓ Ro5	✓ Clean	`O=C(/C=C\c1ccc(/C=C\C(=O)c2cccnc2)cc1)c1cccnc1`
ZINC4771102	0.515	217.7 Da LogP 2.97 TPSA 30.0	✓ Ro5	✓ Clean	`O=C(c1cccnc1)c1ccccc1Cl`
ZINC5224194	0.515	340.4 Da LogP 4.27 TPSA 59.9	✓ Ro5	✓ Clean	`O=C(/C=C/c1ccc(/C=C/C(=O)c2cccnc2)cc1)c1cccnc1`
ZINC670700	0.515	437.5 Da LogP 4.23 TPSA 113.1	✓ Ro5	✓ Clean	`O=C(Nc1ccc(NC(=O)c2cccnc2)cc1)c1ccc(NC(=O)c2ccc…`
ZINC91366305	0.514	200.2 Da LogP 0.64 TPSA 81.8	✓ Ro5	✓ Clean	`NC(=O)c1cncc(-c2cccnn2)c1`

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.