MolNFT v1 · #95509 · protein
Crystal structure of glutathione transferase homolog from burkholderia gl BGR1, target efi-501803, with bound glutathione
4ISD · Glutathione S-transferase: “Crystal structure of glutathione transferase homolog from burkholderia gl BGR1, target efi-501803, with bound…”. X-ray diffraction, 1 ligand (GSH), 15 pockets (best druggability 0.72). MolNFT v1 #95509 on…
- PDB
- 4ISD
- Type
- protein
- Length
- 922 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase
- UniProt
- C5A7Z5
- Ligands
- GSH
- Pockets
- 15 · best druggability 0.72
Structure
x-ray diffraction · 5 distinct chains · 50% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione S-transferase | protein | 187 | 50% helix, 10% strand | C5A7Z5 |
| B | Glutathione S-transferase | protein | 187 | 48% helix, 10% strand | C5A7Z5 |
| C | Glutathione S-transferase | protein | 179 | 50% helix, 12% strand | C5A7Z5 |
| D | Glutathione S-transferase | protein | 184 | 51% helix, 12% strand | C5A7Z5 |
| E | Glutathione S-transferase | protein | 185 | 50% helix, 11% strand | C5A7Z5 |
Ligands and binding sites
- GSH · Glutathione · ligand · 5 copies · chains A, D, B, C, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 72 | 0.72 | 0.97 | 17 | empty |
| 2 | 698 | 0.72 | 0.79 | 73 | empty |
| 3 | 60 | 0.69 | 0.97 | 18 | empty |
| 4 | 304 | 0.61 | 0.78 | 22 | empty |
| 5 | 278 | 0.57 | 0.77 | 44 | GSH |
Interfaces
5 interfaces between chains.
- B–C · 1783 Ų buried · 17 hydrogen bonds · protein-protein
- A–D · 1673 Ų buried · 19 hydrogen bonds · protein-protein
- C–E · 547 Ų buried · 1 hydrogen bond · protein-protein
- D–E · 512 Ų buried · 6 hydrogen bonds · protein-protein
- C–D · 46 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 4ISD · Crystal structure of GLUTATHIONE TRANSFERASE homolog from BURKHOLDERIA GL BGR1, TARGET… · 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 C5A7Z5
- Elsewhere: RCSB PDB 4ISD · PDBe 4ISD · UniProt C5A7Z5
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