MolNFT v1 · #184565 · protein
Crystal structure of dimeric chlorite dismutase variant R127K (ccld R127K) from cyanothece sp. PCC7425
7OUA: “Crystal structure of dimeric chlorite dismutase variant R127K (ccld R127K) from cyanothece sp. PCC7425”. X-ray diffraction, 2 ligands (HEM, SO4), 3 pockets (best druggability 0.85). MolNFT v1 #184565 on GenesisL1: 3D structure…
- PDB
- 7OUA
- Type
- protein
- Length
- 362 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chlorite dismutase
- UniProt
- B8HNS6
- Ligands
- HEM, SO4
- Pockets
- 3 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Chlorite dismutase | protein | 181 | 30% helix, 34% strand | B8HNS6 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · chains A
- PGE · Triethylene glycol · additive · 3 copies · chains A, B
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1126 | 0.85 | 0.86 | 111 | HEM, MES, PGE |
| 2 | 67 | 0.37 | 0.78 | 13 | empty |
| 3 | 69 | 0.34 | 0.75 | 12 | PEG |
Interfaces
1 interface between chains.
- A–B · 960 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 7OUA · Crystal structure of dimeric chlorite dismutase variant R127K (CCld R127K) from… · 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 7OUA · PDBe 7OUA · UniProt B8HNS6
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