MolNFT v1 · #65326 · protein
Ligand-free heterodimeric human glutathione S-transferase M2-3 (ec 2.5.1.18), monoclinic crystal form
3GTU: “Ligand-free heterodimeric human glutathione S-transferase M2-3 (ec 2.5.1.18), monoclinic crystal form”. X-ray diffraction, 12 pockets (best druggability 0.74). MolNFT v1 #65326 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3GTU
- Type
- protein
- Length
- 882 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase
- EC
- 2.5.1.18
- UniProt
- P28161, P21266
- Pockets
- 12 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 54% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Glutathione S-transferase (EC 2.5.1.18) | protein | 217 | 54% helix, 10% strand | P28161 |
| B, D | Glutathione S-transferase (EC 2.5.1.18) | protein | 224 | 54% helix, 11% strand | P21266 |
Pockets
12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1052 | 0.74 | 0.77 | 84 | empty |
| 2 | 966 | 0.72 | 0.76 | 78 | empty |
| 3 | 148 | 0.58 | 0.83 | 18 | empty |
| 4 | 191 | 0.56 | 0.80 | 23 | empty |
| 5 | 224 | 0.52 | 0.76 | 26 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1404 Ų buried · 11 hydrogen bonds · protein-protein
- C–D · 1393 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 238 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 3GTU · Ligand-free heterodimeric human glutathione S-transferase M2-3 (ec 2.5.1.18), monoclinic… · the same entry in another collection · chain C against C, 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 A against A, TM-score 0.99
- P21266 · AlphaFold monomer V2.0 prediction for glutathione S-transferase mu 3 (P21266) · a predicted model of the same protein · chain B against A, TM-score 0.96
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
- Every structure of UniProt P21266
- Elsewhere: RCSB PDB 3GTU · PDBe 3GTU · UniProt P28161 · UniProt P21266
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