MolNFT v1 · #6131 · protein
Crystal structure of MGSTA1-1 in complex with gsh
1F3A · Glutathione S-transferase ya chain: “Crystal structure of MGSTA1-1 in complex with gsh”. X-ray diffraction, 1 ligand (GSH), 6 pockets (best druggability 0.80). MolNFT v1 #6131 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1F3A
- Type
- protein
- Length
- 442 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase ya chain
- EC
- 2.5.1.18
- UniProt
- P13745
- Ligands
- GSH
- Pockets
- 6 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 58% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glutathione S-transferase ya chain (EC 2.5.1.18) | protein | 221 | 58% helix, 8% strand | P13745 |
Ligands and binding sites
- GSH · Glutathione · ligand · 2 copies · chains A, B
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 | 1053 | 0.80 | 0.81 | 100 | GSH |
| 2 | 139 | 0.40 | 0.74 | 21 | empty |
| 3 | 129 | 0.39 | 0.74 | 20 | empty |
| 4 | 63 | 0.32 | 0.76 | 12 | empty |
| 5 | 64 | 0.31 | 0.75 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1520 Ų buried · 9 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 P13745
- Elsewhere: RCSB PDB 1F3A · PDBe 1F3A · UniProt P13745
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