MolNFT v1 · #97540 · protein
Crystal structure of a glutathione transferase family member from salmonella enterica TY2, target efi-507262, with bound glutathione
4KH7 · Glutathione S-transferase family protein: “Crystal structure of a glutathione transferase family member from salmonella enterica TY2, target efi-507262…”. X-ray diffraction, 1 ligand (GSH), 4 pockets (best druggability 0.71). MolNFT…
- PDB
- 4KH7
- Type
- protein
- Length
- 417 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase family protein
- UniProt
- Q8Z859
- Ligands
- GSH
- Pockets
- 4 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 54% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione S-transferase family protein | protein | 205 | 55% helix, 9% strand | Q8Z859 |
| B | Glutathione S-transferase family protein | protein | 212 | 54% helix, 9% strand | Q8Z859 |
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
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 615 | 0.71 | 0.79 | 63 | GSH |
| 2 | 111 | 0.38 | 0.75 | 17 | empty |
| 3 | 94 | 0.35 | 0.74 | 21 | empty |
| 4 | 51 | 0.26 | 0.73 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 1330 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 4KH7 · Crystal structure of a glutathione transferase family member from salmonella enterica… · 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 Q8Z859
- Elsewhere: RCSB PDB 4KH7 · PDBe 4KH7 · UniProt Q8Z859
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