Research workbench
Glutathione amide reductase from chromatium gracile
Analyse Glutathione amide reductase from chromatium gracile in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2R9Z
- Type
- protein
- Length
- 904 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione amide reductase
- Ligands
- FAD, NI, CL
- Pockets
- 5 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione amide reductase | protein | 451 | 35% helix, 25% strand | — |
| B | Glutathione amide reductase | protein | 453 | 35% helix, 24% strand | — |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- NI · Nickel (II) ion · metal · 4 copies · chains A, B
- CL · Chloride ion · ion · 8 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, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 853 | 0.78 | 0.81 | 107 | FAD, CL |
| 2 | 882 | 0.78 | 0.81 | 99 | FAD, CL |
| 3 | 554 | 0.77 | 0.84 | 71 | CL |
| 4 | 619 | 0.71 | 0.79 | 53 | empty |
| 5 | 575 | 0.69 | 0.78 | 54 | empty |
Interfaces
1 interface between chains.
- A–B · 3237 Ų buried · 27 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 2R9Z · Glutathione amide reductase from Chromatium gracile · 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
- Elsewhere: RCSB PDB 2R9Z · PDBe 2R9Z
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