MolNFT v1 · #108414 · protein
Crystal structure of glutathione S-transferase domain protein from haliangium ochraceum dsm 14365
4W66: “Crystal structure of glutathione S-transferase domain protein from haliangium ochraceum dsm 14365”. X-ray diffraction, 1 ligand (GSH), 7 pockets (best druggability 0.82). MolNFT v1 #108414 on GenesisL1: 3D structure, binding sites…
- PDB
- 4W66
- Type
- protein
- Length
- 456 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase domain protein
- UniProt
- D0LNW1
- Ligands
- GSH
- Pockets
- 7 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 58% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione S-transferase domain protein | protein | 236 | 59% helix, 8% strand | D0LNW1 |
| B | Glutathione S-transferase domain protein | protein | 220 | 57% helix, 9% strand | D0LNW1 |
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
7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 823 | 0.82 | 0.84 | 65 | empty |
| 2 | 82 | 0.39 | 0.77 | 20 | empty |
| 3 | 75 | 0.39 | 0.78 | 12 | GSH |
| 4 | 64 | 0.36 | 0.78 | 11 | GSH |
| 5 | 66 | 0.31 | 0.74 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1989 Ų buried · 23 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 modified, 1 covalent (engineered, covalent ligand).
Compared structures
- 4W66 · Crystal structure of Glutathione S-transferase domain protein from Haliangium ochraceum… · 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
- Every structure of UniProt D0LNW1
- Elsewhere: RCSB PDB 4W66 · PDBe 4W66 · UniProt D0LNW1
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