Protein profile

PA5057

poly(3-hydroxyalkanoic acid) depolymerase

Genome: NC_002516.2

Gene: CAZ10_01165 PA5057 catD_2 GNQ48_03995 phaD PAERUG_P19_London_7_VIM_2_05_10_03117 L4V69_34575 GUL26_08100 phaZ ALP65_03772 DT376_21130 Structure source: AlphaFold UniProt Q51514 UniProt G3XD91

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Amino acids 285

Annotations 2

Features 17

PDB binders 8

Druggability 0.826

Overview

Basic information about this protein and its source genome.

Accession: PA5057
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: CAZ10_01165 PA5057 catD_2 GNQ48_03995 phaD PAERUG_P19_London_7_VIM_2_05_10_03117 L4V69_34575 GUL26_08100 phaZ ALP65_03772 DT376_21130
Status: annotated
Amino acids: 285
Structure source: AlphaFold

GO:0004806 Catalysis of the reaction: a triacylglycerol + H2O = a diacylglycerol + a fatty acid + H+. GO:0046503 The chemical reactions and pathways resulting in the breakdown of glycerolipids, any lipid with a glycerol backbone.

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
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 0.826

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

2 GO

Gene Ontology (GO)

GO:0004806 Catalysis of the reaction: a triacylglycerol + H2O = a diacylglycerol + a fatty acid + H+.
GO:0046503 The chemical reactions and pathways resulting in the breakdown of glycerolipids, any lipid with a glycerol backbone.

Sequence Features

Domain/signature hits from InterPro and related databases.

17 records

Show feature table

Start	End	DB	Term	Name
30	251	Pfam	PF00561	alpha/beta hydrolase fold
30	251	InterPro	IPR000073	Alpha/beta hydrolase fold-1
3	267	SUPERFAMILY	SSF53474	alpha/beta-Hydrolases
3	267	InterPro	IPR029058	Alpha/Beta hydrolase fold
27	267	PANTHER	PTHR43433	HYDROLASE, ALPHA/BETA FOLD FAMILY PROTEIN
6	269	Gene3D	G3DSA:3.40.50.1820	alpha/beta hydrolase
6	269	InterPro	IPR029058	Alpha/Beta hydrolase fold
112	125	PRINTS	PR00111	Alpha/beta hydrolase fold signature
112	125	InterPro	IPR000073	Alpha/beta hydrolase fold-1
213	227	PRINTS	PR00111	Alpha/beta hydrolase fold signature
213	227	InterPro	IPR000073	Alpha/beta hydrolase fold-1
54	69	PRINTS	PR00111	Alpha/beta hydrolase fold signature
54	69	InterPro	IPR000073	Alpha/beta hydrolase fold-1
98	111	PRINTS	PR00111	Alpha/beta hydrolase fold signature
98	111	InterPro	IPR000073	Alpha/beta hydrolase fold-1
4	279	NCBIfam	TIGR02240	poly(3-hydroxyalkanoate) depolymerase
4	279	InterPro	IPR011942	Poly(3-hydroxyalkanoate) depolymerase

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 PA5057	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
2				0.826
1				0.578

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
6OR	5JZ9	P9WNH5	243.1 Da LogP 1.95 TPSA 74.6	✓ Ro5	✓ Clean	`c1c(cc(c(c1Cl)O)Cl)S(=O)(=O)O`
6OT	5JZB	P9WNH5	226.1 Da LogP 1.64 TPSA 60.2	✓ Ro5	✓ Clean	`c1c(cc(cc1Cl)Cl)S(=O)(=O)N`
FGZ	5JZS	P9WNH5	207.0 Da LogP 2.40 TPSA 57.5	✓ Ro5	✓ Clean	`c1c(cc(c(c1Cl)O)Cl)C(=O)O`
HPK	2WUG	P9WNH5	217.2 Da LogP 0.13 TPSA 74.3	✓ Ro5	✓ Clean	`c1ccc(cc1)C(=O)C\C=C\C(=O)C(=O)[O-]`
KEK	2WUE	P9WNH5	293.7 Da LogP 1.35 TPSA 74.3	✓ Ro5	✓ Clean	`C[C@H](\C=C\C(=O)C(=O)[O-])C(=O)CCc1ccccc1Cl`
KEM	2WUF	P9WNH5	349.4 Da LogP 0.60 TPSA 111.6	✓ Ro5	✓ Clean	`C[C@H](\C=C\C(=O)C(=O)[O-])C(=O)CC[C@@H]1[C@H]2…`
MLT	4UHE	A0A0M3KKY6	134.1 Da LogP -1.09 TPSA 94.8	✓ Ro5	✓ Clean	`C([C@H](C(=O)O)O)C(=O)O`
SHF	2XUA	Q13KT2	116.1 Da LogP 0.44 TPSA 54.4	✓ Ro5	✓ Clean	`CC(=O)CCC(=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).

Ligand	UniProt (homolog)	pchembl	MW · LogP · TPSA	Lipinski	PAINS	SMILES
CHEMBL3945728	Q5XI64	—	507.4 Da LogP 5.05 TPSA 36.0	2 viol.	✓ Clean	`O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2ccc(C(F)(F)F)…`

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
ZINC156492	1.000	207.0 Da LogP 2.40 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)c1cc(Cl)c(O)c(Cl)c1`
ZINC1737176	1.000	243.1 Da LogP 1.95 TPSA 74.6	✓ Ro5	✓ Clean	`O=S(=O)(O)c1cc(Cl)c(O)c(Cl)c1`
ZINC90873	1.000	226.1 Da LogP 1.64 TPSA 60.2	✓ Ro5	✓ Clean	`NS(=O)(=O)c1cc(Cl)cc(Cl)c1`
ZINC2243582	0.760	223.6 Da LogP 0.87 TPSA 100.6	✓ Ro5	✓ Clean	`Nc1cc(S(=O)(=O)O)cc(Cl)c1O`
ZINC221841749	0.741	413.5 Da LogP 4.36 TPSA 36.0	✓ Ro5	✓ Clean	`CC(C)(C)OC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2N2CCCC2)…`
ZINC238672089	0.739	206.7 Da LogP 0.57 TPSA 86.2	✓ Ro5	✓ Clean	`Nc1cc(Cl)cc(S(N)(=O)=O)c1`
ZINC72260269	0.720	251.5 Da LogP 2.51 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)c1cc(Cl)c(O)c(Br)c1`
ZINC229783808	0.708	209.6 Da LogP 1.13 TPSA 60.2	✓ Ro5	✓ Clean	`NS(=O)(=O)c1cc(F)cc(Cl)c1`
ZINC238502972	0.708	205.7 Da LogP 1.30 TPSA 60.2	✓ Ro5	✓ Clean	`Cc1cc(Cl)cc(S(N)(=O)=O)c1`
ZINC238618078	0.708	270.5 Da LogP 1.75 TPSA 60.2	✓ Ro5	✓ Clean	`NS(=O)(=O)c1cc(Cl)cc(Br)c1`
ZINC95724159	0.708	207.6 Da LogP 0.69 TPSA 80.4	✓ Ro5	✓ Clean	`NS(=O)(=O)c1cc(O)cc(Cl)c1`
ZINC1100714	0.696	388.1 Da LogP 4.54 TPSA 74.6	✓ Ro5	✓ Clean	`O=S(=O)(c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1`
ZINC2041383	0.682	225.5 Da LogP 3.35 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1cc(Cl)c(Cl)c(Cl)c1`
ZINC71773889	0.667	206.1 Da LogP -1.77 TPSA 132.1	✓ Ro5	✓ Clean	`O=C(C[C@H](O)C(=O)O)C[C@H](O)C(=O)O`
ZINC71773890	0.667	206.1 Da LogP -1.77 TPSA 132.1	✓ Ro5	✓ Clean	`O=C(C[C@H](O)C(=O)O)C[C@@H](O)C(=O)O`
ZINC71773891	0.667	206.1 Da LogP -1.77 TPSA 132.1	✓ Ro5	✓ Clean	`O=C(C[C@@H](O)C(=O)O)C[C@@H](O)C(=O)O`
ZINC4390302	0.652	235.0 Da LogP 2.39 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1cc(Cl)c(C(=O)O)c(Cl)c1`
ZINC45919841	0.652	316.9 Da LogP 3.30 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1cc(Cl)c(I)c(Cl)c1`
ZINC156570	0.643	202.6 Da LogP 1.75 TPSA 66.8	✓ Ro5	✓ Clean	`COc1cc(C(=O)O)cc(Cl)c1O`
ZINC116231002	0.640	207.0 Da LogP 2.40 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)c1cc(O)c(Cl)c(Cl)c1`
ZINC153772	0.640	241.1 Da LogP 2.10 TPSA 54.4	✓ Ro5	✓ Clean	`CS(=O)(=O)c1cc(Cl)c(O)c(Cl)c1`
ZINC2165012	0.640	241.1 Da LogP 2.55 TPSA 54.4	✓ Ro5	✓ Clean	`Cc1c(Cl)cc(S(=O)(=O)O)cc1Cl`
ZINC39242131	0.640	242.1 Da LogP 1.35 TPSA 80.4	✓ Ro5	✓ Clean	`NS(=O)(=O)c1cc(Cl)c(O)c(Cl)c1`
ZINC14619253	0.632	214.3 Da LogP 3.17 TPSA 54.4	✓ Ro5	✓ Clean	`CC(=O)CCCCCCCCCC(=O)O`
ZINC1841307	0.632	228.3 Da LogP 3.56 TPSA 54.4	✓ Ro5	✓ Clean	`CC(=O)CCCCCCCCCCC(=O)O`
ZINC1845839	0.632	200.3 Da LogP 2.78 TPSA 54.4	✓ Ro5	✓ Clean	`CC(=O)CCCCCCCCC(=O)O`
ZINC33822328	0.632	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CC(=O)CCCCCCCCCCCCCC(=O)O`
ZINC5855130	0.632	242.4 Da LogP 3.95 TPSA 54.4	✓ Ro5	✓ Clean	`CC(=O)CCCCCCCCCCCC(=O)O`
ZINC130960739	0.630	259.6 Da LogP 2.01 TPSA 60.2	✓ Ro5	✓ Clean	`NS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1`
ZINC216658310	0.630	221.7 Da LogP 0.48 TPSA 80.4	✓ Ro5	✓ Clean	`NS(=O)(=O)c1cc(Cl)cc(CO)c1`
ZINC238418353	0.630	221.7 Da LogP 1.00 TPSA 69.4	✓ Ro5	✓ Clean	`COc1cc(Cl)cc(S(N)(=O)=O)c1`
ZINC238618117	0.630	216.6 Da LogP 0.86 TPSA 83.9	✓ Ro5	✓ Clean	`N#Cc1cc(Cl)cc(S(N)(=O)=O)c1`
ZINC40449571	0.630	235.6 Da LogP 0.69 TPSA 97.5	✓ Ro5	✓ Clean	`NS(=O)(=O)c1cc(Cl)cc(C(=O)O)c1`
ZINC14989295	0.625	205.0 Da LogP 3.00 TPSA 37.3	✓ Ro5	✓ Clean	`Cc1c(Cl)cc(C(=O)O)cc1Cl`
ZINC156654	0.625	206.0 Da LogP 2.27 TPSA 63.3	✓ Ro5	✓ Clean	`Nc1c(Cl)cc(C(=O)O)cc1Cl`
ZINC16158589	0.625	209.0 Da LogP 2.83 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1cc(Cl)c(F)c(Cl)c1`
ZINC1732286	0.625	269.9 Da LogP 3.45 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1cc(Cl)c(Br)c(Cl)c1`
ZINC2565996	0.625	205.0 Da LogP 2.90 TPSA 37.3	✓ Ro5	✓ Clean	`CC(=O)c1cc(Cl)c(O)c(Cl)c1`
ZINC4426125	0.625	206.0 Da LogP 1.80 TPSA 63.3	✓ Ro5	✓ Clean	`NC(=O)c1cc(Cl)c(O)c(Cl)c1`
ZINC88120918	0.615	247.1 Da LogP 3.93 TPSA 37.3	✓ Ro5	✓ Clean	`CC(C)(C)C(=O)c1cc(Cl)c(O)c(Cl)c1`
ZINC139948963	0.609	260.5 Da LogP 2.29 TPSA 60.2	✓ Ro5	✓ Clean	`NS(=O)(=O)c1cc(Cl)c(Cl)c(Cl)c1`
ZINC238618371	0.607	236.6 Da LogP 0.90 TPSA 103.3	✓ Ro5	✓ Clean	`NS(=O)(=O)c1cc(Cl)cc([N+](=O)[O-])c1`
ZINC3335916	0.600	216.6 Da LogP 2.14 TPSA 66.8	✓ Ro5	✓ Clean	`CCOc1cc(C(=O)O)cc(Cl)c1O`
ZINC6095865	0.593	267.1 Da LogP 3.93 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(c1ccccc1)c1cc(Cl)c(O)c(Cl)c1`
ZINC133895213	0.586	235.7 Da LogP 1.13 TPSA 69.4	✓ Ro5	✓ Clean	`COCc1cc(Cl)cc(S(N)(=O)=O)c1`
ZINC1848555	0.586	338.7 Da LogP 1.69 TPSA 129.0	✓ Ro5	✓ Clean	`O=S(=O)(O)c1cc(O)c2c(Cl)cc(S(=O)(=O)O)cc2c1`
ZINC1255236	0.583	241.1 Da LogP 1.22 TPSA 86.2	✓ Ro5	✓ Clean	`Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl`
ZINC20593730	0.583	223.0 Da LogP 2.10 TPSA 77.8	✓ Ro5	✓ Clean	`O=C(O)c1c(O)c(Cl)cc(Cl)c1O`
ZINC34544486	0.583	227.1 Da LogP 2.24 TPSA 54.4	✓ Ro5	✓ Clean	`O=S(=O)(O)c1cc(Cl)cc(Cl)c1`
ZINC35924158	0.577	259.0 Da LogP 3.71 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1cc(Cl)c(C(F)(F)F)c(Cl)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.