MolNFT v1 · #73384 · protein
Crystal structure of glutathione reductase from bartonella henselae
3O0H: “Crystal structure of glutathione reductase from bartonella henselae”. X-ray diffraction, 2 ligands (FAD, CL), 4 pockets (best druggability 0.81). MolNFT v1 #73384 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3O0H
- Type
- protein
- Length
- 914 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione reductase
- EC
- 1.8.1.7
- UniProt
- Q6G3V4
- Ligands
- FAD, CL
- Pockets
- 4 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione reductase (EC 1.8.1.7) | protein | 455 | 35% helix, 27% strand | Q6G3V4 |
| B | Glutathione reductase (EC 1.8.1.7) | protein | 459 | 35% helix, 27% strand | Q6G3V4 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 4 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1153 | 0.81 | 0.82 | 133 | CL |
| 2 | 742 | 0.79 | 0.83 | 108 | FAD |
| 3 | 789 | 0.79 | 0.82 | 106 | FAD |
| 4 | 471 | 0.65 | 0.77 | 49 | CL |
Interfaces
1 interface between chains.
- A–B · 3499 Ų buried · 30 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3O0H · Crystal structure of glutathione reductase from Bartonella henselae · 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 Q6G3V4
- Elsewhere: RCSB PDB 3O0H · PDBe 3O0H · UniProt Q6G3V4
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