MolNFT v1 · #94517 · protein
Crystal structure of glutathione S-transferase XAUT_3756 (target efi- 507152) from xanthobacter autotrophicus PY2
4HZ2 · Glutathione S-transferase domain: “Crystal structure of glutathione S-transferase XAUT_3756 (target efi- 507152) from xanthobacter autotrophicus…”. X-ray diffraction, 3 ligands (GSH, BEZ, UNL), 5 pockets (best druggability 0.79).…
- PDB
- 4HZ2
- Type
- protein
- Length
- 411 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase domain
- UniProt
- A7ILT8
- Ligands
- GSH, BEZ, UNL
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 56% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione S-transferase domain | protein | 205 | 56% helix, 7% strand | A7ILT8 |
| B | Glutathione S-transferase domain | protein | 206 | 56% helix, 7% strand | A7ILT8 |
Ligands and binding sites
- GSH · Glutathione · ligand · 2 copies · chains A, B
- BEZ · Benzoic acid · ligand · chains A
- UNL · Unknown ligand · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1078 | 0.79 | 0.80 | 93 | GSH, BEZ, UNL |
| 2 | 75 | 0.37 | 0.77 | 16 | empty |
| 3 | 79 | 0.36 | 0.76 | 16 | empty |
| 4 | 85 | 0.34 | 0.75 | 16 | empty |
| 5 | 86 | 0.32 | 0.74 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1536 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 4HZ2 · Crystal structure of glutathione s-transferase xaut_3756 (target efi-507152) from… · 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 A7ILT8
- Elsewhere: RCSB PDB 4HZ2 · PDBe 4HZ2 · UniProt A7ILT8
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