MolNFT v1 · #25081 · protein
CGSTA1-1 in complex with S-hexyl-glutathione
1VF2 · Glutathione S-transferase 3: “CGSTA1-1 in complex with S-hexyl-glutathione”. X-ray diffraction, 2 ligands (GTX, ZN), 6 pockets (best druggability 0.81). MolNFT v1 #25081 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1VF2
- Type
- protein
- Length
- 450 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase 3
- EC
- 2.5.1.18
- UniProt
- P26697
- Ligands
- GTX, ZN
- Pockets
- 6 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 57% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glutathione S-transferase 3 (EC 2.5.1.18) | protein | 225 | 57% helix, 7% strand | P26697 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 969 | 0.81 | 0.82 | 101 | GTX |
| 2 | 122 | 0.40 | 0.75 | 20 | empty |
| 3 | 111 | 0.35 | 0.73 | 27 | empty |
| 4 | 65 | 0.34 | 0.76 | 11 | empty |
| 5 | 67 | 0.33 | 0.76 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 1458 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
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 P26697
- Elsewhere: RCSB PDB 1VF2 · PDBe 1VF2 · UniProt P26697
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