MolNFT v1 · #29694 · protein
Crystal structure of the glutathione transferase pi in complex with dinitrosyl-diglutathionyl iron complex
1ZGN · Glutathione S-transferase P: “Crystal structure of the glutathione transferase pi in complex with dinitrosyl-diglutathionyl iron complex”. X-ray diffraction, 3 ligands (GSH, FE, NO), 5 pockets (best druggability 0.70). MolNFT v1…
- PDB
- 1ZGN
- Type
- protein
- Length
- 416 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase P
- EC
- 2.5.1.18
- UniProt
- P09211
- Ligands
- GSH, FE, NO
- Pockets
- 5 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 63% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glutathione S-transferase P (EC 2.5.1.18) | protein | 208 | 63% helix, 8% strand | P09211 |
Ligands and binding sites
- GSH · Glutathione · ligand · 2 copies · chains A, B
- FE · Fe (III) ion · metal · 2 copies · chains A, B
- NO · Nitric oxide · ion · 4 copies · chains A, B
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · chains A, B
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 | 609 | 0.70 | 0.79 | 69 | FE, GSH, NO |
| 2 | 108 | 0.39 | 0.75 | 20 | empty |
| 3 | 77 | 0.35 | 0.76 | 16 | empty |
| 4 | 53 | 0.34 | 0.78 | 16 | empty |
| 5 | 60 | 0.29 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1283 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 1ZGN · Crystal Structure of the Glutathione Transferase Pi in Complex with… · 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 P09211
- Elsewhere: RCSB PDB 1ZGN · PDBe 1ZGN · UniProt P09211
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