MolNFT v1 · #93145 · protein
Ligand-free homodimeric human glutathione S-transferase M4-4
4GTU: “Ligand-free homodimeric human glutathione S-transferase M4-4”. X-ray diffraction, 17 pockets (best druggability 0.82). MolNFT v1 #93145 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4GTU
- Type
- protein
- Length
- 1,736 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase
- EC
- 2.5.1.18
- UniProt
- Q03013
- Pockets
- 17 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H | Glutathione S-transferase (EC 2.5.1.18) | protein | 217 | 52% helix, 9% strand | Q03013 |
Pockets
17 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 748 | 0.82 | 0.86 | 81 | empty |
| 2 | 1184 | 0.80 | 0.82 | 102 | empty |
| 3 | 1143 | 0.80 | 0.81 | 99 | empty |
| 4 | 1110 | 0.79 | 0.81 | 93 | empty |
| 5 | 260 | 0.68 | 0.84 | 25 | empty |
Interfaces
6 interfaces between chains.
- C–D · 1463 Ų buried · 17 hydrogen bonds · protein-protein
- G–H · 1450 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 1380 Ų buried · 11 hydrogen bonds · protein-protein
- E–F · 1379 Ų buried · 10 hydrogen bonds · protein-protein
- F–G · 386 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4GTU · Ligand-free homodimeric human glutathione S-transferase M4-4 · the same entry in another collection · chain H against H, TM-score 1.00
- Q03013 · AlphaFold monomer V2.0 prediction for glutathione S-transferase mu 4 (Q03013) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q03013
- Elsewhere: RCSB PDB 4GTU · PDBe 4GTU · UniProt Q03013
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