Research workbench
Apo glutathione transferase A1-1 gimf-helix mutant
Analyse Apo glutathione transferase A1-1 gimf-helix mutant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3I69
- Type
- protein
- Length
- 1,751 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase A1
- EC
- 2.5.1.18
- UniProt
- P08263
- Ligands
- GSH
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 3 distinct chains · 59% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D, E, G, H | Glutathione S-transferase A1 (EC 2.5.1.18) | protein | 219 | 60% helix, 8% strand | P08263 |
| B | Glutathione S-transferase A1 (EC 2.5.1.18) | protein | 221 | 59% helix, 7% strand | P08263 |
| F | Glutathione S-transferase A1 (EC 2.5.1.18) | protein | 216 | 59% helix, 7% strand | P08263 |
Ligands and binding sites
- GSH · Glutathione · ligand · 2 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 906 | 0.85 | 0.86 | 114 | GSH |
| 2 | 1112 | 0.84 | 0.85 | 113 | empty |
| 3 | 1173 | 0.84 | 0.85 | 116 | GSH |
| 4 | 1089 | 0.83 | 0.83 | 112 | empty |
| 5 | 965 | 0.72 | 0.76 | 90 | empty |
Interfaces
9 interfaces between chains.
- A–B · 1555 Ų buried · 16 hydrogen bonds · protein-protein
- C–D · 1540 Ų buried · 13 hydrogen bonds · protein-protein
- E–F · 1494 Ų buried · 9 hydrogen bonds · protein-protein
- G–H · 1492 Ų buried · 14 hydrogen bonds · protein-protein
- A–F · 260 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
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 P08263
- Elsewhere: RCSB PDB 3I69 · PDBe 3I69 · UniProt P08263
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