Protein profile

KP13_04260

Glutaredoxin-1

Genome: KpKP13

Gene: AHE45490.1 grxA Structure source: AlphaFold + ColabFold UniProt A0A0H3GUS3
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Amino acids 87
Annotations 7
Features 18
PDB binders 3
Druggability 0.391

Overview

Basic information about this protein and its source genome.

Accession
KP13_04260
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE45490.1 grxA
Status
annotated
Amino acids
87
Structure source
AlphaFold + ColabFold
GO
GO:0009055 A molecular function representing the directed movement of electrons from one molecular entity to another, typically mediated by electron carriers or acceptors, resulting in the transfer of energy and/or the reduction-oxidation (redox) transformation of chemical species. This activity is fundamental to various biological processes, including cellular respiration and photosynthesis, as well as numerous enzymatic reactions involved in metabolic pathways. GO:0015035 Catalysis of the reaction: a protein with reduced sulfide groups = a protein with oxidized disulfide bonds. GO:0045454 Any process that maintains the redox environment of a cell or compartment within a cell. GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. GO:0015038 Catalysis of the reaction: 2 glutathione + electron acceptor = glutathione disulfide + electron donor. GO:0034599 Any process that results in a change in state or activity of a cell (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
hit
Human identity (%)
32.099
Human E-value
1.21e-07
Gut microbiome off-target
hit
Essential (DEG)
N
DEG identity (%)
0.0
Localization
Unknown
ColabFold pLDDT
86.79

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 0.391
Structure A0A0H3GUS3
Pocket Pocket 3
P2Rank 0.018
Structure A0A0H3GUS3
Pocket Pocket 1
ColabFold model
FPocket 0.323 · Pocket 3
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 138 / 4744 genomes with a hit
Normalized 0.029

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

7 GO

Gene Ontology (GO)

7
  • GO:0009055 A molecular function representing the directed movement of electrons from one molecular entity to another, typically mediated by electron carriers or acceptors, resulting in the transfer of energy and/or the reduction-oxidation (redox) transformation of chemical species. This activity is fundamental to various biological processes, including cellular respiration and photosynthesis, as well as numerous enzymatic reactions involved in metabolic pathways.
  • GO:0015035 Catalysis of the reaction: a protein with reduced sulfide groups = a protein with oxidized disulfide bonds.
  • GO:0045454 Any process that maintains the redox environment of a cell or compartment within a cell.
  • GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
  • GO:0015038 Catalysis of the reaction: 2 glutathione + electron acceptor = glutathione disulfide + electron donor.
  • GO:0034599 Any process that results in a change in state or activity of a cell (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.
  • GO:0009263 The chemical reactions and pathways resulting in the formation of a deoxyribonucleotide, a compound consisting of deoxyribonucleoside (a base linked to a deoxyribose sugar) esterified with a phosphate group at either the 3' or 5'-hydroxyl group of the sugar.

Sequence Features

Domain/signature hits from InterPro and related databases.

18 records
Show feature table
Start End DB Term Name
4 80 CDD cd02066 GRX_family
1 87 ProSiteProfiles PS51354 Glutaredoxin domain profile.
4 80 PANTHER PTHR45694 GLUTAREDOXIN 2
4 69 Pfam PF00462 Glutaredoxin
4 69 InterPro IPR002109 Glutaredoxin
5 20 ProSitePatterns PS00195 Glutaredoxin active site.
5 20 InterPro IPR011767 Glutaredoxin active site
3 84 Gene3D G3DSA:3.40.30.10 Glutaredoxin
2 86 NCBIfam TIGR02183 glutaredoxin, GrxA family
2 86 InterPro IPR011902 Glutaredoxin, GrxA
4 82 SUPERFAMILY SSF52833 Thioredoxin-like
4 82 InterPro IPR036249 Thioredoxin-like superfamily
3 21 PRINTS PR00160 Glutaredoxin signature
3 21 InterPro IPR014025 Glutaredoxin subgroup
66 79 PRINTS PR00160 Glutaredoxin signature
66 79 InterPro IPR014025 Glutaredoxin subgroup
52 65 PRINTS PR00160 Glutaredoxin signature
52 65 InterPro IPR014025 Glutaredoxin subgroup

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.

3D visualization script Full viewer

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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_A0A0H3GUS3
AlphaFold — — full sequence — Viewing
ColabFold KP13_04260
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
3 0.391

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

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.

Show only:
Ligand Source crystal UniProt (homolog) MW · LogP · TPSA Lipinski PAINS SMILES
CAC
3MSZ
Q5NHD0 137.0 Da LogP -0.52 TPSA 40.1 ✓ Ro5 ✓ Clean C[As](=O)(C)[O-]
COM
4RQR
P35754 142.2 Da LogP -0.20 TPSA 54.4 ✓ Ro5 ✓ Clean C(CS(=O)(=O)O)S
GSH
3GRX
P0AC62 307.3 Da LogP -2.21 TPSA 158.8 1 viol. ✓ Clean C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N

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.