Overview
Basic information about this protein and its source genome.
- Accession
- PA2821
- Gene
- PA2821
- Status
- annotated
- Amino acids
- 220
- Structure source
- AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 32.919
- Human E-value
- 2.16e-09
- Gut microbiome off-target
- hit
- Essential (DEG)
- N
- 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.
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Gene Ontology (GO)
3- GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
- GO:0043295 Binding to glutathione; a tripeptide composed of the three amino acids cysteine, glutamic acid and glycine.
- GO:0004364 Catalysis of the reaction: RX + glutathione = an S-substituted glutathione + a halide anion + H+.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 1 | 102 | SUPERFAMILY | SSF52833 | Thioredoxin-like |
| 1 | 102 | InterPro | IPR036249 | Thioredoxin-like superfamily |
| 5 | 204 | Gene3D | G3DSA:3.40.30.10 | Glutaredoxin |
| 3 | 72 | CDD | cd00570 | GST_N_family |
| 3 | 199 | SFLD | SFLDS00019 | Glutathione Transferase (cytosolic) |
| 3 | 199 | InterPro | IPR040079 | Glutathione transferase family |
| 5 | 79 | Pfam | PF13417 | Glutathione S-transferase, N-terminal domain |
| 5 | 79 | InterPro | IPR004045 | Glutathione S-transferase, N-terminal |
| 92 | 196 | CDD | cd00299 | GST_C_family |
| 1 | 79 | ProSiteProfiles | PS50404 | Soluble glutathione S-transferase N-terminal domain profile. |
| 1 | 79 | InterPro | IPR004045 | Glutathione S-transferase, N-terminal |
| 85 | 220 | ProSiteProfiles | PS50405 | Soluble glutathione S-transferase C-terminal domain profile. |
| 85 | 220 | InterPro | IPR010987 | Glutathione S-transferase, C-terminal-like |
| 78 | 209 | SUPERFAMILY | SSF47616 | GST C-terminal domain-like |
| 78 | 209 | InterPro | IPR036282 | Glutathione S-transferase, C-terminal domain superfamily |
| 3 | 211 | PANTHER | PTHR43968 | - |
| 128 | 204 | Pfam | PF14497 | Glutathione S-transferase, C-terminal domain |
| 128 | 204 | InterPro | IPR004046 | Glutathione S-transferase, C-terminal |
| 81 | 199 | Gene3D | G3DSA:1.20.1050.10 | - |
| 5 | 83 | FunFam | G3DSA:3.40.30.10:FF:000322 | Probable glutathione S-transferase |
| 3 | 199 | SFLD | SFLDG00358 | Main (cytGST) |
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...
Structural evidence
0 + 1Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
AlphaFold
PA2821
|
AlphaFold | — | — | full sequence | — | Viewing |
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 | 0.837 | ||||||
| 5 | 0.223 |
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 |
|---|---|---|---|---|---|---|
| GSH | B9VX79 | 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
|
| ZINC1532902 | 0.700 | 206.2 Da LogP -0.86 TPSA 132.1 | ✓ Ro5 | ✓ Clean |
O=C(O)CC[C@@](O)(CC(=O)O)C(=O)O
|
| ZINC2018106 | 0.700 | 206.2 Da LogP -0.86 TPSA 132.1 | ✓ Ro5 | ✓ Clean |
O=C(O)CC[C@](O)(CC(=O)O)C(=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…
|
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.