Protein profile

PA2850

organic hydroperoxide resistance protein

Genome: NC_002516.2

Gene: PA2850 ohr Structure source: Experimental + AlphaFold UniProt Q9HZZ3

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Amino acids 142

Annotations 1

Features 11

PDB binders 4

Druggability 0.623

Overview

Basic information about this protein and its source genome.

Accession: PA2850
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA2850 ohr
Status: annotated
Amino acids: 142
Structure source: Experimental + AlphaFold

GO:0006979 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of oxidative stress, a state often resulting from exposure to high levels of reactive oxygen species, e.g. superoxide anions, hydrogen peroxide (H2O2), and hydroxyl radicals.

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
Gut microbiome off-target: hit
Essential (DEG): Y
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 0.623

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 GO

Gene Ontology (GO)

GO:0006979 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of oxidative stress, a state often resulting from exposure to high levels of reactive oxygen species, e.g. superoxide anions, hydrogen peroxide (H2O2), and hydroxyl radicals.

Sequence Features

Domain/signature hits from InterPro and related databases.

11 records

Show feature table

Start	End	DB	Term	Name
43	138	Pfam	PF02566	OsmC-like protein
43	138	InterPro	IPR003718	OsmC/Ohr family
5	141	PANTHER	PTHR33797	ORGANIC HYDROPEROXIDE RESISTANCE PROTEIN-LIKE
5	141	InterPro	IPR019953	Organic hydroperoxide resistance protein famiy
7	140	NCBIfam	TIGR03561	Ohr family peroxiredoxin
7	140	InterPro	IPR019953	Organic hydroperoxide resistance protein famiy
48	142	Gene3D	G3DSA:3.30.300.20	-
48	142	InterPro	IPR015946	K homology domain-like, alpha/beta
1	140	SUPERFAMILY	SSF82784	OsmC-like
1	140	InterPro	IPR036102	OsmC/Ohr superfamily
1	47	Gene3D	G3DSA:2.20.25.10	-

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 1N2F	X-ray	2.01 Å	A,B	100.0% 1-142	PDBe RCSB PDBj File	Viewing
AlphaFold PA2850	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
4				0.623
3				0.298

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				1.11	0.008

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				0.363

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.

54 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.

Ligand	Source crystal	MW · LogP · TPSA	Lipinski	PAINS	SMILES
DTT	1N2F 2.01 Å Open crystal	154.3 Da LogP -0.43 TPSA 40.5	✓ Ro5	✓ Clean	`C([C@@H]([C@H](CS)O)O)S`

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
J3S	6EBD	A0A202B6V5	207.4 Da LogP 1.65 TPSA 43.1	✓ Ro5	✓ Clean	`C(CCC(=O)N)C[C@@H](CCS)S`
PE4	1ZB8	Q9PCF4	354.4 Da LogP 0.11 TPSA 84.8	✓ Ro5	✓ Clean	`CCOCCOCCOCCOCCOCCOCCOCCO`
X8Z	3LUS	Q9KKU4	217.3 Da LogP 0.63 TPSA 57.6	✓ Ro5	✓ Clean	`C[C@H](CS)C(=O)N1CCC[C@H]1C(=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
ZINC20226	1.000	217.3 Da LogP 0.63 TPSA 57.6	✓ Ro5	✓ Clean	`C[C@H](CS)C(=O)N1CCC[C@@H]1C(=O)O`
ZINC5650743	1.000	222.3 Da LogP 0.07 TPSA 57.2	✓ Ro5	✓ Clean	`CCOCCOCCOCCOCCO`
ZINC57000	1.000	217.3 Da LogP 0.63 TPSA 57.6	✓ Ro5	✓ Clean	`C[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)O`
ZINC57001	1.000	217.3 Da LogP 0.63 TPSA 57.6	✓ Ro5	✓ Clean	`C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O`
ZINC57002	1.000	217.3 Da LogP 0.63 TPSA 57.6	✓ Ro5	✓ Clean	`C[C@@H](CS)C(=O)N1CCC[C@@H]1C(=O)O`
ZINC6403917	1.000	354.4 Da LogP 0.11 TPSA 84.8	✓ Ro5	✓ Clean	`CCOCCOCCOCCOCCOCCOCCOCCO`
ZINC38212936	0.711	231.3 Da LogP 0.72 TPSA 46.6	✓ Ro5	✓ Clean	`COC(=O)[C@@H]1CCCN1C(=O)[C@H](C)CS`
ZINC1529363	0.704	208.3 Da LogP 2.25 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)CCCC[C@H](S)CCS`
ZINC3869601	0.704	208.3 Da LogP 2.25 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)CCCC[C@@H](S)CCS`
ZINC111451008	0.703	231.3 Da LogP 1.06 TPSA 57.6	✓ Ro5	✓ Clean	`CSC[C@H](C)C(=O)N1CCC[C@H]1C(=O)O`
ZINC6036727	0.703	231.3 Da LogP 1.06 TPSA 57.6	✓ Ro5	✓ Clean	`CSC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O`
ZINC12501520	0.688	458.5 Da LogP -0.88 TPSA 123.5	1 viol.	✓ Clean	`OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC3874716	0.688	414.5 Da LogP -0.90 TPSA 114.3	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC4283769	0.688	238.3 Da LogP -0.96 TPSA 77.4	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCO`
ZINC4521548	0.688	282.3 Da LogP -0.95 TPSA 86.6	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCOCCO`
ZINC5178829	0.688	326.4 Da LogP -0.93 TPSA 95.8	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCOCCOCCO`
ZINC5178830	0.688	370.4 Da LogP -0.91 TPSA 105.1	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC5859031	0.688	294.4 Da LogP 1.13 TPSA 55.4	✓ Ro5	✓ Clean	`CCOCCOCCOCCOCCOCCOCC`
ZINC237154739	0.684	215.2 Da LogP 0.34 TPSA 66.8	✓ Ro5	✓ Clean	`COC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O`
ZINC237231340	0.684	215.2 Da LogP 0.34 TPSA 66.8	✓ Ro5	✓ Clean	`COC[C@H](C)C(=O)N1CCC[C@H]1C(=O)O`
ZINC67664984	0.667	247.3 Da LogP 0.08 TPSA 74.7	✓ Ro5	✓ Clean	`C[C@H](C[S@](C)=O)C(=O)N1CCC[C@H]1C(=O)O`
ZINC67664986	0.667	247.3 Da LogP 0.08 TPSA 74.7	✓ Ro5	✓ Clean	`C[C@H](C[S@@](C)=O)C(=O)N1CCC[C@H]1C(=O)O`
ZINC58131	0.650	259.3 Da LogP 0.98 TPSA 74.7	✓ Ro5	✓ Clean	`CC(=O)SC[C@H](C)C(=O)N1CCC[C@H]1C(=O)O`
ZINC58132	0.650	259.3 Da LogP 0.98 TPSA 74.7	✓ Ro5	✓ Clean	`CC(=O)SC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O`
ZINC58133	0.650	259.3 Da LogP 0.98 TPSA 74.7	✓ Ro5	✓ Clean	`CC(=O)SC[C@H](C)C(=O)N1CCC[C@@H]1C(=O)O`
ZINC58134	0.650	259.3 Da LogP 0.98 TPSA 74.7	✓ Ro5	✓ Clean	`CC(=O)SC[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)O`
ZINC139041101	0.643	272.4 Da LogP 0.31 TPSA 60.9	✓ Ro5	✓ Clean	`C[C@H](CS)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C(=O)O`
ZINC139041329	0.643	272.4 Da LogP 0.31 TPSA 60.9	✓ Ro5	✓ Clean	`C[C@H](CS)C(=O)N1C[C@H]2CCCN2C[C@@H]1C(=O)O`
ZINC256066812	0.643	272.4 Da LogP 0.31 TPSA 60.9	✓ Ro5	✓ Clean	`C[C@H](CS)C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)O`
ZINC256066813	0.643	272.4 Da LogP 0.31 TPSA 60.9	✓ Ro5	✓ Clean	`C[C@H](CS)C(=O)N1C[C@@H]2CCCN2C[C@H]1C(=O)O`
ZINC3792809	0.634	246.3 Da LogP 1.11 TPSA 87.0	✓ Ro5	✓ Clean	`C[C@H](CSN=O)C(=O)N1CCC[C@H]1C(=O)O`
ZINC136486150	0.625	229.3 Da LogP 0.73 TPSA 66.8	✓ Ro5	✓ Clean	`COC[C@H](C)C(=O)N1CCCC[C@@H]1C(=O)O`
ZINC136486179	0.625	229.3 Da LogP 0.73 TPSA 66.8	✓ Ro5	✓ Clean	`COC[C@@H](C)C(=O)N1CCCC[C@@H]1C(=O)O`
ZINC136486225	0.625	229.3 Da LogP 0.73 TPSA 66.8	✓ Ro5	✓ Clean	`COC[C@H](C)C(=O)N1CCCC[C@H]1C(=O)O`
ZINC136486255	0.625	229.3 Da LogP 0.73 TPSA 66.8	✓ Ro5	✓ Clean	`COC[C@@H](C)C(=O)N1CCCC[C@H]1C(=O)O`
ZINC1644613	0.619	206.3 Da LogP 0.83 TPSA 47.9	✓ Ro5	✓ Clean	`CCCCOCCOCCOCCO`
ZINC4899618	0.605	214.3 Da LogP 0.05 TPSA 83.6	✓ Ro5	✓ Clean	`CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)O`
ZINC5274103	0.605	214.3 Da LogP 0.05 TPSA 83.6	✓ Ro5	✓ Clean	`CC(C)[C@@H](N)C(=O)N1CCC[C@H]1C(=O)O`
ZINC95918248	0.605	301.4 Da LogP 2.00 TPSA 74.7	✓ Ro5	✓ Clean	`C[C@@H](CSC(=O)C(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)O`
ZINC95918249	0.605	301.4 Da LogP 2.00 TPSA 74.7	✓ Ro5	✓ Clean	`C[C@H](CSC(=O)C(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)O`
ZINC95918250	0.605	301.4 Da LogP 2.00 TPSA 74.7	✓ Ro5	✓ Clean	`C[C@@H](CSC(=O)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O`
ZINC95918251	0.605	301.4 Da LogP 2.00 TPSA 74.7	✓ Ro5	✓ Clean	`C[C@H](CSC(=O)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O`
ZINC16052118	0.600	340.4 Da LogP -0.28 TPSA 84.8	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCO`
ZINC16052257	0.600	384.5 Da LogP -0.26 TPSA 94.1	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC2384856	0.600	228.3 Da LogP 0.44 TPSA 83.6	✓ Ro5	✓ Clean	`CC(C)C[C@H](N)C(=O)N1CCC[C@@H]1C(=O)O`
ZINC34317654	0.600	472.6 Da LogP -0.23 TPSA 112.5	1 viol.	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC44076059	0.600	428.5 Da LogP -0.24 TPSA 103.3	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC4556773	0.600	228.3 Da LogP 0.44 TPSA 83.6	✓ Ro5	✓ Clean	`CC(C)C[C@@H](N)C(=O)N1CCC[C@@H]1C(=O)O`
ZINC4556774	0.600	228.3 Da LogP 0.44 TPSA 83.6	✓ Ro5	✓ Clean	`CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)O`
ZINC4556775	0.600	228.3 Da LogP 0.44 TPSA 83.6	✓ Ro5	✓ Clean	`CC(C)C[C@@H](N)C(=O)N1CCC[C@H]1C(=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.