Protein profile

KP13_04567

Peroxiredoxin osmC

Genome: KpKP13

Gene: osmC AHE44442.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GQ84

Export view

Amino acids 143

Annotations 2

Features 9

PDB binders 3

Druggability 0.392

Overview

Basic information about this protein and its source genome.

Accession: KP13_04567
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: osmC AHE44442.1
Status: annotated
Amino acids: 143
Structure source: AlphaFold + ColabFold

GO:0004601 Catalysis of the reaction: a reduced substrate + ROOH = an oxidized substrate + ROH + H2O. 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
Human identity (%): 0.0
Gut microbiome off-target: hit
Essential (DEG): N
DEG identity (%): 0.0
Localization: Cytoplasmic
ColabFold pLDDT: 97.6

Selected Druggability evidence

AlphaFold / UniProt model

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 0.392

Structure A0A0H3GQ84

Pocket Pocket 2

P2Rank

Structure A0A0H3GQ84

Pocket No pockets

ColabFold model

FPocket 0.422 · Pocket 4

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 93 / 4744 genomes with a hit

Normalized 0.02

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

2 GO

Gene Ontology (GO)

GO:0004601 Catalysis of the reaction: a reduced substrate + ROOH = an oxidized substrate + ROH + H2O.
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.

9 records

Show feature table

Start	End	DB	Term	Name
2	141	SUPERFAMILY	SSF82784	OsmC-like
2	141	InterPro	IPR036102	OsmC/Ohr superfamily
44	138	Pfam	PF02566	OsmC-like protein
44	138	InterPro	IPR003718	OsmC/Ohr family
1	141	PANTHER	PTHR42830	OSMOTICALLY INDUCIBLE FAMILY PROTEIN
5	138	NCBIfam	TIGR03562	OsmC family peroxiredoxin
5	138	InterPro	IPR019904	Peroxiredoxin OsmC
1	142	Gene3D	G3DSA:3.30.300.20	-
1	142	InterPro	IPR015946	K homology domain-like, alpha/beta

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...

Legend High Medium Low

Structural evidence

0 + 2

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

Entry	Method	Resolution	Chain	Coverage	Links	Status
AlphaFold AF_A0A0H3GQ84	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_04567	ColabFold	—	—	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
2				0.392

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				0.422

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.

53 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
DTT	6EBC	A0A202B6V5	154.3 Da LogP -0.43 TPSA 40.5	✓ Ro5	✓ Clean	`C([C@@H]([C@H](CS)O)O)S`
J3S	6EBD	A0A202B6V5	207.4 Da LogP 1.65 TPSA 43.1	✓ Ro5	✓ Clean	`C(CCC(=O)N)C[C@@H](CCS)S`
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`
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`
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`
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`
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`
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`
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`
ZINC32053916	0.590	268.4 Da LogP 1.33 TPSA 60.9	✓ Ro5	✓ Clean	`C[C@H](C(=O)N1CCC[C@H]1C(=O)O)N1CCCCCC1`
ZINC32053918	0.590	268.4 Da LogP 1.33 TPSA 60.9	✓ Ro5	✓ Clean	`C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N1CCCCCC1`
ZINC8076550	0.590	216.2 Da LogP -1.23 TPSA 103.9	✓ Ro5	✓ Clean	`C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)O`
ZINC1591038	0.585	228.3 Da LogP 0.44 TPSA 83.6	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)O`
ZINC2047152	0.585	228.3 Da LogP 0.44 TPSA 83.6	✓ Ro5	✓ Clean	`CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H]1C(=O)O`
ZINC5663064	0.585	228.3 Da LogP 0.44 TPSA 83.6	✓ Ro5	✓ Clean	`CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@@H]1C(=O)O`
ZINC5663066	0.585	228.3 Da LogP 0.44 TPSA 83.6	✓ Ro5	✓ Clean	`CC[C@@H](C)[C@@H](N)C(=O)N1CCC[C@@H]1C(=O)O`
ZINC5663069	0.585	228.3 Da LogP 0.44 TPSA 83.6	✓ Ro5	✓ Clean	`CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@@H]1C(=O)O`
ZINC155802556	0.578	279.3 Da LogP 2.08 TPSA 57.6	✓ Ro5	✓ Clean	`C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)O`
ZINC155802670	0.578	279.3 Da LogP 2.08 TPSA 57.6	✓ Ro5	✓ Clean	`C[C@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)O`
ZINC237422356	0.578	277.3 Da LogP 1.78 TPSA 66.8	✓ Ro5	✓ Clean	`C[C@H](COc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)O`
ZINC237422461	0.578	277.3 Da LogP 1.78 TPSA 66.8	✓ Ro5	✓ Clean	`C[C@H](COc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O`
ZINC237475873	0.578	277.3 Da LogP 1.78 TPSA 66.8	✓ Ro5	✓ Clean	`C[C@@H](COc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)O`
ZINC237475964	0.578	277.3 Da LogP 1.78 TPSA 66.8	✓ Ro5	✓ Clean	`C[C@@H](COc1ccccc1)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.