MolNFT v1 · #48515 · protein
Crystal structure of ochrobactrum anthropi glutathione transferase CYS10ALA mutant with glutathione bound at the H-site
2PVQ · Glutathione S-transferase: “Crystal structure of ochrobactrum anthropi glutathione transferase CYS10ALA mutant with glutathione bound at…”. X-ray diffraction, 2 ligands (GSH, SO4), 2 pockets (best druggability 0.41). MolNFT v1…
- PDB
- 2PVQ
- Type
- protein
- Length
- 201 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase
- EC
- 2.5.1.18
- UniProt
- P81065
- Ligands
- GSH, SO4
- Pockets
- 2 · best druggability 0.41
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione S-transferase (EC 2.5.1.18) | protein | 201 | 53% helix, 11% strand | P81065 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 144 | 0.41 | 0.74 | 24 | GSH |
| 2 | 50 | 0.30 | 0.76 | 13 | empty |
Compared structures
- 2PVQ · Crystal structure of Ochrobactrum anthropi glutathione transferase Cys10Ala mutant with… · the same entry in another collection · chain A against A, TM-score 1.00
- P81065 · AlphaFold monomer V2.0 prediction for glutathione S-transferase (P81065) · a predicted model of the same protein · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P81065
- Elsewhere: RCSB PDB 2PVQ · PDBe 2PVQ · UniProt P81065
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