Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: KP13_02214
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: arsC AHE42783.1
Status: annotated
Amino acids: 140
Structure source: AlphaFold + ColabFold

EC

1.20.4.1

GO

GO:0008794 Catalysis of the reaction: arsenate + reduced glutaredoxin = arsenite + oxidized glutaredoxin. Glutaredoxin functions as the electron donor for arsenate reduction. The electron flow therefore is ( NADPH -> glutathione reductase (EC:1.6.4.2) -> ) glutathione -> glutaredoxin -> arsenate reductase, i.e. glutathione is reduced by glutathione reductase and glutaredoxin is reduced by glutathione. GO:0046685 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 an arsenic stimulus from compounds containing arsenic, including arsenates, arsenites, and arsenides.

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
Human identity (%): 0.0
Gut microbiome off-target: hit
Essential (DEG): Y
DEG identity (%): 47.414
DEG E-value: 2.22e-30
Localization: Cytoplasmic
ColabFold pLDDT: 97.19

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 0.167

Structure A0A0H3H2J7

Pocket Pocket 4

P2Rank

Structure A0A0H3H2J7

Pocket No pockets

ColabFold model

FPocket 0.376 · Pocket 1

P2Rank 0.012 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 131 / 4744 genomes with a hit

Normalized 0.028

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 2 GO

Enzyme Commission (EC)

1

1.20.4.1

Gene Ontology (GO)

2

GO:0008794 Catalysis of the reaction: arsenate + reduced glutaredoxin = arsenite + oxidized glutaredoxin. Glutaredoxin functions as the electron donor for arsenate reduction. The electron flow therefore is ( NADPH -> glutathione reductase (EC:1.6.4.2) -> ) glutathione -> glutaredoxin -> arsenate reductase, i.e. glutathione is reduced by glutathione reductase and glutaredoxin is reduced by glutathione.
GO:0046685 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 an arsenic stimulus from compounds containing arsenic, including arsenates, arsenites, and arsenides.

Sequence Features

Domain/signature hits from InterPro and related databases.

13 records

Show feature table

Start	End	DB	Term	Name
3	115	NCBIfam	TIGR00014	arsenate reductase (glutaredoxin)
3	115	InterPro	IPR006659	Arsenate reductase
2	132	ProSiteProfiles	PS51353	ArsC family profile.
2	132	InterPro	IPR006660	Arsenate reductase-like
1	116	PANTHER	PTHR30041	ARSENATE REDUCTASE
1	116	InterPro	IPR006660	Arsenate reductase-like
6	113	Pfam	PF03960	ArsC family
6	113	InterPro	IPR006660	Arsenate reductase-like
2	136	SUPERFAMILY	SSF52833	Thioredoxin-like
2	136	InterPro	IPR036249	Thioredoxin-like superfamily
3	114	CDD	cd03034	ArsC_ArsC
3	114	InterPro	IPR006659	Arsenate reductase
1	140	Gene3D	G3DSA:3.40.30.10	Glutaredoxin

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 + 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_A0A0H3H2J7	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_02214	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
1				0.376

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.

2 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
MLI	3F0I	Q9KQ39	102.0 Da LogP -3.12 TPSA 80.3	✓ Ro5	✓ Clean	`C(C(=O)[O-])C(=O)[O-]`
TAS	1J9B	P08692	125.9 Da LogP -2.05 TPSA 60.7	✓ Ro5	✓ Clean	`O[As](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).

No virtual-screening candidates for this protein.

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.

KP13_02214