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Crystal structure of dimeric chlorite dismutase from cyanothece sp. PCC7425 in complex with nitrite
Analyse Crystal structure of dimeric chlorite dismutase from cyanothece sp. PCC7425 in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7OU5
- Type
- protein
- Length
- 364 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chlorite dismutase
- UniProt
- B8HNS6
- Ligands
- HEM, NO2, SO4
- Pockets
- 4 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Chlorite dismutase | protein | 182 | 30% helix, 35% strand | B8HNS6 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- NO2 · Nitrite ion · ion · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · chains A, B
- GOL · Glycerol · additive · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1113 | 0.85 | 0.86 | 111 | NO2, HEM, GOL |
| 2 | 61 | 0.39 | 0.79 | 17 | empty |
| 3 | 61 | 0.37 | 0.78 | 13 | empty |
| 4 | 58 | 0.34 | 0.77 | 10 | empty |
Interfaces
1 interface between chains.
- A–B · 973 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 7OU5 · Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 in complex… · 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 B8HNS6
- Elsewhere: RCSB PDB 7OU5 · PDBe 7OU5 · UniProt B8HNS6
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