Overview
Basic information about this protein and its source genome.
- Accession
- KP13_00211
- Gene
- grxC AHE42124.1
- Status
- annotated
- Amino acids
- 83
- Structure source
- AlphaFold + ColabFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 34.118
- Human E-value
- 3.47e-10
- Gut microbiome off-target
- hit
- Essential (DEG)
- Y
- DEG identity (%)
- 50.0
- DEG E-value
- 2.22e-25
- Localization
- Unknown
- ColabFold pLDDT
- 93.51
Selected Druggability evidence
AlphaFold / UniProt modelSelected 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.
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Gene Ontology (GO)
5- 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.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 1 | 83 | Gene3D | G3DSA:3.40.30.10 | Glutaredoxin |
| 6 | 22 | ProSitePatterns | PS00195 | Glutaredoxin active site. |
| 6 | 22 | InterPro | IPR011767 | Glutaredoxin active site |
| 4 | 63 | Pfam | PF00462 | Glutaredoxin |
| 4 | 63 | InterPro | IPR002109 | Glutaredoxin |
| 1 | 83 | FunFam | G3DSA:3.40.30.10:FF:000018 | Glutaredoxin |
| 4 | 82 | NCBIfam | TIGR02181 | glutaredoxin 3 |
| 4 | 82 | InterPro | IPR011900 | Glutaredoxin, GrxC |
| 3 | 82 | PANTHER | PTHR45694 | GLUTAREDOXIN 2 |
| 3 | 76 | CDD | cd03418 | GRX_GRXb_1_3_like |
| 3 | 76 | InterPro | IPR011900 | Glutaredoxin, GrxC |
| 1 | 83 | ProSiteProfiles | PS51354 | Glutaredoxin domain profile. |
| 4 | 22 | PRINTS | PR00160 | Glutaredoxin signature |
| 4 | 22 | InterPro | IPR014025 | Glutaredoxin subgroup |
| 46 | 59 | PRINTS | PR00160 | Glutaredoxin signature |
| 46 | 59 | InterPro | IPR014025 | Glutaredoxin subgroup |
| 60 | 73 | PRINTS | PR00160 | Glutaredoxin signature |
| 60 | 73 | InterPro | IPR014025 | Glutaredoxin subgroup |
| 1 | 83 | SUPERFAMILY | SSF52833 | Thioredoxin-like |
| 1 | 83 | InterPro | IPR036249 | Thioredoxin-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.
No pockets are loaded yet for the displayed AlphaFold model AF_A0A0H3GYR4 structure. Run experimental pocket backfill to show FPocket/P2Rank overlays on this structure.
Loading 3D structure...
Structural evidence
0 + 2Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
AlphaFold
AF_A0A0H3GYR4
|
AlphaFold | — | — | full sequence | — | Viewing |
|
ColabFold
KP13_00211
|
ColabFold | — | — | full sequence | — | Loaded |
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.
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 |
|---|---|---|---|---|---|---|
| CAC | Q5NHD0 | 137.0 Da LogP -0.52 TPSA 40.1 | ✓ Ro5 | ✓ Clean |
C[As](=O)(C)[O-]
|
|
| GDS | A8MJH2 | 612.6 Da LogP -3.88 TPSA 317.6 | 3 viol. | ✓ Clean |
C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)…
|
|
| GSH | A0A1W6I4R7 | 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
|
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 |
|---|---|---|---|---|---|
| ZINC3830891 | 1.000 | 307.3 Da LogP -2.21 TPSA 158.8 | 1 viol. | ✓ Clean |
N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O
|
| ZINC3830892 | 1.000 | 307.3 Da LogP -2.21 TPSA 158.8 | 1 viol. | ✓ Clean |
N[C@@H](CCC(=O)N[C@H](CS)C(=O)NCC(=O)O)C(=O)O
|
| ZINC3830893 | 1.000 | 307.3 Da LogP -2.21 TPSA 158.8 | 1 viol. | ✓ Clean |
N[C@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O
|
| ZINC3830894 | 1.000 | 307.3 Da LogP -2.21 TPSA 158.8 | 1 viol. | ✓ Clean |
N[C@H](CCC(=O)N[C@H](CS)C(=O)NCC(=O)O)C(=O)O
|
| ZINC5828410 | 0.821 | 306.3 Da LogP -2.81 TPSA 164.6 | 1 viol. | ✓ Clean |
NC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O
|
| ZINC13549503 | 0.780 | 321.4 Da LogP -2.12 TPSA 147.8 | ✓ Ro5 | ✓ Clean |
COC(=O)[C@@H](N)CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O
|
| ZINC4096455 | 0.775 | 321.4 Da LogP -1.82 TPSA 158.8 | 1 viol. | ✓ Clean |
N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCCC(=O)O)C(=O)O
|
| ZINC2554974 | 0.750 | 289.3 Da LogP -1.73 TPSA 158.8 | ✓ Ro5 | ✓ Clean |
CC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O
|
| ZINC3870040 | 0.750 | 250.3 Da LogP -1.32 TPSA 129.7 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCC(=O)N[C@@H](CS)C(=O)O)C(=O)O
|
| ZINC3870041 | 0.750 | 250.3 Da LogP -1.32 TPSA 129.7 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCC(=O)N[C@H](CS)C(=O)O)C(=O)O
|
| ZINC3870042 | 0.750 | 250.3 Da LogP -1.32 TPSA 129.7 | ✓ Ro5 | ✓ Clean |
N[C@H](CCC(=O)N[C@@H](CS)C(=O)O)C(=O)O
|
| ZINC3870043 | 0.750 | 250.3 Da LogP -1.32 TPSA 129.7 | ✓ Ro5 | ✓ Clean |
N[C@H](CCC(=O)N[C@H](CS)C(=O)O)C(=O)O
|
| ZINC3778474 | 0.727 | 349.4 Da LogP -1.34 TPSA 147.8 | ✓ Ro5 | ✓ Clean |
CC(C)OC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O…
|
| ZINC3778476 | 0.727 | 335.4 Da LogP -1.73 TPSA 147.8 | ✓ Ro5 | ✓ Clean |
CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O
|
| ZINC5497203 | 0.727 | 335.4 Da LogP -1.73 TPSA 147.8 | ✓ Ro5 | ✓ Clean |
CCOC(=O)CNC(=O)[C@@H](CS)NC(=O)CC[C@H](N)C(=O)O
|
| ZINC5497237 | 0.727 | 335.4 Da LogP -1.73 TPSA 147.8 | ✓ Ro5 | ✓ Clean |
CCOC(=O)CNC(=O)[C@@H](CS)NC(=O)CC[C@@H](N)C(=O)O
|
| ZINC5497239 | 0.727 | 335.4 Da LogP -1.73 TPSA 147.8 | ✓ Ro5 | ✓ Clean |
CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](N)C(=O)O
|
| ZINC1532230 | 0.714 | 321.4 Da LogP -1.77 TPSA 158.8 | ✓ Ro5 | ✓ Clean |
CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O
|
| ZINC4556979 | 0.714 | 321.4 Da LogP -1.77 TPSA 158.8 | ✓ Ro5 | ✓ Clean |
CSC[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O
|
| ZINC4556980 | 0.714 | 321.4 Da LogP -1.77 TPSA 158.8 | ✓ Ro5 | ✓ Clean |
CSC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O
|
| ZINC4556981 | 0.714 | 321.4 Da LogP -1.77 TPSA 158.8 | ✓ Ro5 | ✓ Clean |
CSC[C@@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O
|
| ZINC1616624 | 0.698 | 355.3 Da LogP -3.25 TPSA 213.2 | 1 viol. | ✓ Clean |
N[C@@H](CCC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)…
|
| ZINC1616625 | 0.698 | 355.3 Da LogP -3.25 TPSA 213.2 | 1 viol. | ✓ Clean |
N[C@@H](CCC(=O)N[C@H](CS(=O)(=O)O)C(=O)NCC(=O)O…
|
| ZINC1616626 | 0.698 | 355.3 Da LogP -3.25 TPSA 213.2 | 1 viol. | ✓ Clean |
N[C@H](CCC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O…
|
| ZINC1616627 | 0.698 | 355.3 Da LogP -3.25 TPSA 213.2 | 1 viol. | ✓ Clean |
N[C@H](CCC(=O)N[C@H](CS(=O)(=O)O)C(=O)NCC(=O)O)…
|
| ZINC12496578 | 0.675 | 275.3 Da LogP -2.12 TPSA 158.8 | ✓ Ro5 | ✓ Clean |
C[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O
|
| ZINC13522300 | 0.667 | 349.4 Da LogP -1.86 TPSA 175.9 | ✓ Ro5 | ✓ Clean |
CC(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=…
|
| ZINC31350707 | 0.667 | 349.4 Da LogP -1.86 TPSA 175.9 | ✓ Ro5 | ✓ Clean |
CC(=O)SC[C@@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC…
|
| ZINC31350710 | 0.667 | 349.4 Da LogP -1.86 TPSA 175.9 | ✓ Ro5 | ✓ Clean |
CC(=O)SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(…
|
| ZINC31350713 | 0.667 | 349.4 Da LogP -1.86 TPSA 175.9 | ✓ Ro5 | ✓ Clean |
CC(=O)SC[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(…
|
| ZINC3872731 | 0.667 | 336.3 Da LogP -1.72 TPSA 188.2 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)O)C(=O…
|
| ZINC3872732 | 0.667 | 336.3 Da LogP -1.72 TPSA 188.2 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCC(=O)N[C@H](CSN=O)C(=O)NCC(=O)O)C(=O)O
|
| ZINC3872733 | 0.667 | 336.3 Da LogP -1.72 TPSA 188.2 | ✓ Ro5 | ✓ Clean |
N[C@H](CCC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)O)C(=O)O
|
| ZINC3872734 | 0.667 | 336.3 Da LogP -1.72 TPSA 188.2 | ✓ Ro5 | ✓ Clean |
N[C@H](CCC(=O)N[C@H](CSN=O)C(=O)NCC(=O)O)C(=O)O
|
| ZINC4544082 | 0.667 | 335.4 Da LogP -1.38 TPSA 158.8 | ✓ Ro5 | ✓ Clean |
CCSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O
|
| ZINC4544083 | 0.667 | 335.4 Da LogP -1.38 TPSA 158.8 | ✓ Ro5 | ✓ Clean |
CCSC[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O
|
| ZINC4544084 | 0.667 | 335.4 Da LogP -1.38 TPSA 158.8 | ✓ Ro5 | ✓ Clean |
CCSC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O
|
| ZINC4544085 | 0.667 | 335.4 Da LogP -1.38 TPSA 158.8 | ✓ Ro5 | ✓ Clean |
CCSC[C@@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O
|
| ZINC13451235 | 0.652 | 423.4 Da LogP -2.47 TPSA 233.4 | 1 viol. | ✓ Clean |
N[C@@H](CCC(=O)N[C@@H](CS[C@H](CC(=O)O)C(=O)O)C…
|
| ZINC145953214 | 0.652 | 365.4 Da LogP -2.02 TPSA 179.0 | 1 viol. | ✓ Clean |
C[C@H](O)CSC[C@@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O…
|
| ZINC145953600 | 0.652 | 365.4 Da LogP -2.02 TPSA 179.0 | 1 viol. | ✓ Clean |
C[C@H](O)CSC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)…
|
| ZINC14966489 | 0.652 | 423.4 Da LogP -2.47 TPSA 233.4 | 1 viol. | ✓ Clean |
N[C@H](CCC(=O)N[C@@H](CS[C@@H](CC(=O)O)C(=O)O)C…
|
| ZINC14966492 | 0.652 | 423.4 Da LogP -2.47 TPSA 233.4 | 1 viol. | ✓ Clean |
N[C@H](CCC(=O)N[C@H](CS[C@@H](CC(=O)O)C(=O)O)C(…
|
| ZINC201224060 | 0.652 | 365.4 Da LogP -2.02 TPSA 179.0 | 1 viol. | ✓ Clean |
C[C@H](O)CSC[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)…
|
| ZINC253638410 | 0.652 | 423.4 Da LogP -2.47 TPSA 233.4 | 1 viol. | ✓ Clean |
N[C@H](CCC(=O)N[C@H](CS[C@H](CC(=O)O)C(=O)O)C(=…
|
| ZINC253638411 | 0.652 | 423.4 Da LogP -2.47 TPSA 233.4 | 1 viol. | ✓ Clean |
N[C@H](CCC(=O)N[C@@H](CS[C@H](CC(=O)O)C(=O)O)C(…
|
| ZINC3920510 | 0.652 | 423.4 Da LogP -2.47 TPSA 233.4 | 1 viol. | ✓ Clean |
N[C@@H](CCC(=O)N[C@@H](CS[C@@H](CC(=O)O)C(=O)O)…
|
| ZINC77300920 | 0.652 | 365.4 Da LogP -2.02 TPSA 179.0 | 1 viol. | ✓ Clean |
C[C@H](O)CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)N…
|
| ZINC13507523 | 0.643 | 303.3 Da LogP -1.48 TPSA 158.8 | ✓ Ro5 | ✓ Clean |
CC(C)[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O
|
| ZINC4899752 | 0.641 | 235.3 Da LogP -2.44 TPSA 121.5 | ✓ Ro5 | ✓ Clean |
NCC(=O)N[C@@H](CS)C(=O)NCC(=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.