MolNFT v1 · #150414 · protein
First-sphere and second-sphere electrostatic effects in the active site of a class mu glutathione transferase
6GSY · Mu class glutathione S-transferase of isoenzyme 3-3: “First-sphere and second-sphere electrostatic effects in the active site of a class mu glutathione transferase”. X-ray diffraction, 1 ligand (GSH), 4 pockets (best druggability…
- PDB
- 6GSY
- Type
- protein
- Length
- 434 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mu class glutathione S-transferase of isoenzyme 3-3
- EC
- 2.5.1.18
- UniProt
- P04905
- Ligands
- GSH
- Pockets
- 4 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Mu class glutathione S-transferase of isoenzyme 3-3 (EC 2.5.1.18) | protein | 217 | 50% helix, 10% strand | P04905 |
Ligands and binding sites
- GSH · Glutathione · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1117 | 0.74 | 0.76 | 79 | GSH |
| 2 | 156 | 0.54 | 0.81 | 23 | empty |
| 3 | 66 | 0.31 | 0.75 | 12 | empty |
| 4 | 52 | 0.29 | 0.75 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 1350 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 6GSY · First-sphere and second-sphere electrostatic effects in the active site of a class mu… · the same entry in another collection · chain A against A, TM-score 1.00
- P04905 · AlphaFold monomer V2.0 prediction for glutathione S-transferase mu 1 (P04905) · 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 P04905
- Elsewhere: RCSB PDB 6GSY · PDBe 6GSY · UniProt P04905
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