Research workbench
Human glutathione-S-transferase M2-2 T210S mutant in complex with glutathione-styrene oxide conjugate
Analyse Human glutathione-S-transferase M2-2 T210S mutant in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2C4J
- Type
- protein
- Length
- 868 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase mu 2
- EC
- 2.5.1.18
- UniProt
- P28161
- Ligands
- GSO
- Pockets
- 8 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Glutathione S-transferase mu 2 (EC 2.5.1.18) | protein | 217 | 52% helix, 10% strand | P28161 |
Ligands and binding sites
- GSO · L-gamma-glutamyl-S-[(2S)-2-hydroxy-2-phenylethyl]-L-cysteinylglycine · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 951 | 0.76 | 0.78 | 92 | GSO |
| 2 | 756 | 0.73 | 0.79 | 76 | GSO |
| 3 | 261 | 0.58 | 0.78 | 35 | empty |
| 4 | 148 | 0.52 | 0.80 | 26 | empty |
| 5 | 120 | 0.44 | 0.77 | 17 | empty |
Interfaces
3 interfaces between chains.
- C–D · 1458 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 1352 Ų buried · 14 hydrogen bonds · protein-protein
- A–D · 474 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 2C4J · Human glutathione-S-transferase M2-2 T210S mutant in complex with glutathione-styrene… · the same entry in another collection · chain A against A, TM-score 1.00
- P28161 · AlphaFold monomer V2.0 prediction for glutathione S-transferase mu 2 (P28161) · a predicted model of the same protein · chain B 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 P28161
- Elsewhere: RCSB PDB 2C4J · PDBe 2C4J · UniProt P28161
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