MolNFT v1 · #51619 · protein
Glutathione transferase A2-2 in complex with delta-4-andostrene-3-17- dione
2VCT · Glutathione S-transferase A2: “Glutathione transferase A2-2 in complex with delta-4-andostrene-3-17- dione”. X-ray diffraction, 1 ligand (ASD), 20 pockets (best druggability 0.85). MolNFT v1 #51619 on GenesisL1: 3D structure…
- PDB
- 2VCT
- Type
- protein
- Length
- 1,768 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase A2
- EC
- 2.5.1.18
- UniProt
- P09210
- Ligands
- ASD
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 58% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H | Glutathione S-transferase A2 (EC 2.5.1.18) | protein | 221 | 58% helix, 8% strand | P09210 |
Ligands and binding sites
- ASD · 4-androstene-3-17-dione · ligand · 4 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, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1121 | 0.85 | 0.86 | 108 | empty |
| 2 | 1130 | 0.83 | 0.84 | 99 | ASD |
| 3 | 1105 | 0.83 | 0.84 | 100 | ASD |
| 4 | 530 | 0.81 | 0.87 | 60 | empty |
| 5 | 496 | 0.79 | 0.86 | 49 | empty |
Interfaces
7 interfaces between chains.
- C–D · 1488 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 1487 Ų buried · 9 hydrogen bonds · protein-protein
- E–F · 1478 Ų buried · 16 hydrogen bonds · protein-protein
- G–H · 1463 Ų buried · 10 hydrogen bonds · protein-protein
- F–G · 214 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 2VCT · Glutathione transferase A2-2 in complex with delta-4-andostrene-3-17- dione · the same entry in another collection · chain F against F, TM-score 1.00
- P09210 · AlphaFold monomer V2.0 prediction for glutathione S-transferase A2 (P09210) · 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 P09210
- Elsewhere: RCSB PDB 2VCT · PDBe 2VCT · UniProt P09210
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.