MolNFT v1 · #16959 · protein
28KDA glutathione S-transferase from schistosoma haematobium
1OE7: “28KDA glutathione S-transferase from schistosoma haematobium”. X-ray diffraction, 1 ligand (GSH), 2 pockets (best druggability 0.79). MolNFT v1 #16959 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1OE7
- Type
- protein
- Length
- 407 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase
- EC
- 2.5.1.18
- Ligands
- GSH
- Pockets
- 2 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 57% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione S-transferase (EC 2.5.1.18) | protein | 204 | 58% helix, 10% strand | — |
| B | Glutathione S-transferase (EC 2.5.1.18) | protein | 203 | 57% helix, 9% strand | — |
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
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 872 | 0.79 | 0.81 | 98 | GSH |
| 2 | 51 | 0.34 | 0.79 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1185 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 1OE7 · 28kDa glutathione S-transferase from Schistosoma haematobium · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 1OE7 · PDBe 1OE7
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