Protein profile

PA0810

haloacid dehalogenase

Genome: NC_002516.2

Gene: PA0810 Structure source: Experimental + AlphaFold UniProt Q9I5C9

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Amino acids 233

Annotations 2

Features 24

PDB binders 3

Druggability 0.942

Overview

Basic information about this protein and its source genome.

Accession: PA0810
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA0810
Status: annotated
Amino acids: 233
Structure source: Experimental + AlphaFold

GO:0019120 Catalysis of the hydrolysis of any halide bond in substances containing halogen atoms in organic linkage. GO:0016791 Catalysis of the hydrolysis of a phosphoric monoester, releasing a phosphate.

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 0.942

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:0019120 Catalysis of the hydrolysis of any halide bond in substances containing halogen atoms in organic linkage.
GO:0016791 Catalysis of the hydrolysis of a phosphoric monoester, releasing a phosphate.

Sequence Features

Domain/signature hits from InterPro and related databases.

24 records

Show feature table

Start	End	DB	Term	Name
157	177	PRINTS	PR00413	Haloacid dehalogenase/epoxide hydrolase family signature
157	177	InterPro	IPR006439	HAD hydrolase, subfamily IA
1	12	PRINTS	PR00413	Haloacid dehalogenase/epoxide hydrolase family signature
1	12	InterPro	IPR006439	HAD hydrolase, subfamily IA
184	197	PRINTS	PR00413	Haloacid dehalogenase/epoxide hydrolase family signature
184	197	InterPro	IPR006439	HAD hydrolase, subfamily IA
139	155	PRINTS	PR00413	Haloacid dehalogenase/epoxide hydrolase family signature
139	155	InterPro	IPR006439	HAD hydrolase, subfamily IA
4	194	Pfam	PF13419	Haloacid dehalogenase-like hydrolase
4	194	InterPro	IPR041492	Haloacid dehalogenase-like hydrolase
1	200	NCBIfam	TIGR01428	haloacid dehalogenase, type II
1	200	InterPro	IPR006328	L-2-Haloacid dehalogenase
2	231	PANTHER	PTHR43316	HYDROLASE, HALOACID DELAHOGENASE-RELATED
2	207	Gene3D	G3DSA:3.40.50.1000	-
2	207	InterPro	IPR023214	HAD superfamily
15	96	Gene3D	G3DSA:1.10.150.750	-
1	229	SFLD	SFLDS00003	Haloacid Dehalogenase
1	229	SFLD	SFLDG01129	C1.5: HAD, Beta-PGM, Phosphatase Like
2	227	CDD	cd02588	HAD_L2-DEX
2	227	InterPro	IPR006328	L-2-Haloacid dehalogenase
81	187	NCBIfam	TIGR01493	HAD-IA family hydrolase
81	187	InterPro	IPR006439	HAD hydrolase, subfamily IA
1	229	SUPERFAMILY	SSF56784	HAD-like
1	229	InterPro	IPR036412	HAD-like 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

1 + 1

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

Entry	Method	Resolution	Chain	Coverage	Links	Status
PDB 3UMC	X-ray	2.15 Å	A,B,C,D	100.0% 1-233	PDBe RCSB PDBj File	Viewing
AlphaFold PA0810	AlphaFold	—	—	full sequence	—	Loaded

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				0.942
4				0.727
11				0.235

Pockets (P2RANK)

Showing top-ranked P2Rank candidates by probability. Probability is color-coded per P2Rank calibration: high (≥ 0.5), medium (0.2 – 0.49), low (< 0.2).

P2RANK	Sticks	Spheres	Surfaces	Score	Probability	Labels	Zoom	Positions
1				22.82	0.884
2				4.92	0.221

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
3				0.756
1				0.428
2				0.344

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.

33 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
39J	2YN4	R4GRT2	122.6 Da LogP 1.09 TPSA 37.3	✓ Ro5	✓ Clean	`CC[C@@H](C(=O)O)Cl`
BUA	1ZRM	Q53464	88.1 Da LogP 0.87 TPSA 37.3	✓ Ro5	✓ Clean	`CCCC(=O)O`
LAC	1QH9	Q53464	90.1 Da LogP -0.55 TPSA 57.5	✓ Ro5	✓ Clean	`C[C@H](C(=O)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
ZINC1529498	0.579	200.3 Da LogP 3.99 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)O`
ZINC1530417	0.579	228.4 Da LogP 4.77 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC(=O)O`
ZINC1628119	0.579	214.3 Da LogP 4.38 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC(=O)O`
ZINC2113934064	0.571	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCC(=O)CCCCCCCCCCCC(=O)O`
ZINC2113934089	0.571	256.4 Da LogP 4.34 TPSA 54.4	✓ Ro5	✓ Clean	`CCCC(=O)CCCCCCCCCCC(=O)O`
ZINC2378809	0.571	200.3 Da LogP 2.78 TPSA 54.4	✓ Ro5	✓ Clean	`CCCC(=O)CCCCCCC(=O)O`
ZINC2378801	0.524	200.3 Da LogP 2.78 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCC(=O)O`
ZINC139223892	0.520	262.8 Da LogP 4.99 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCC[C@H](Cl)C(=O)O`
ZINC139224014	0.520	262.8 Da LogP 4.99 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCC[C@@H](Cl)C(=O)O`
ZINC138457918	0.500	228.3 Da LogP 3.56 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCCCC(=O)O`
ZINC138458029	0.500	228.3 Da LogP 3.56 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCCC(=O)O`
ZINC144395054	0.500	242.4 Da LogP 3.95 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCCCCC(=O)O`
ZINC14619628	0.500	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCCCCCCC(=O)O`
ZINC196749828	0.500	214.3 Da LogP 3.17 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCC(=O)O`
ZINC2113934076	0.500	256.4 Da LogP 4.34 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCCCCC(=O)O`
ZINC2113934081	0.500	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCC(=O)CCCCCCCCCCC(=O)O`
ZINC2113934082	0.500	256.4 Da LogP 4.34 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCCCCCC(=O)O`
ZINC2113934083	0.500	256.4 Da LogP 4.34 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)CCCCC(=O)O`
ZINC2243668	0.500	214.3 Da LogP 3.17 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCC(=O)CCCCCCC(=O)O`
ZINC2243670	0.500	228.3 Da LogP 3.56 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCCCC(=O)O`
ZINC2378799	0.500	200.3 Da LogP 2.78 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCC(=O)CCCCCC(=O)O`
ZINC2569203	0.500	214.3 Da LogP 3.17 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCCC(=O)O`
ZINC33820423	0.500	242.4 Da LogP 3.95 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCC(=O)CCCCCCCCC(=O)O`
ZINC4798470	0.500	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCCCCCC(=O)O`
ZINC5973005	0.500	242.4 Da LogP 3.95 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCCCC(=O)O`
ZINC71418182	0.500	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCCC(=O)CCCCC(=O)O`
ZINC79244776	0.500	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCCCCCCC(=O)O`
ZINC86037082	0.500	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)CCCCCC(=O)O`
ZINC86037089	0.500	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCC(=O)CCCCCCC(=O)O`
ZINC86039283	0.500	242.4 Da LogP 3.95 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCC(=O)CCCCC(=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.