MolNFT v1 · #173206 · protein
Crystal structure of dimeric chlorite dismutase variant Q74E (ccld Q74E) from cyanothece sp. PCC7425
7ASB: “Crystal structure of dimeric chlorite dismutase variant Q74E (ccld Q74E) from cyanothece sp. PCC7425”. X-ray diffraction, 2 ligands (HEM, SO4), 5 pockets (best druggability 0.80). MolNFT v1 #173206 on GenesisL1: 3D structure…
- PDB
- 7ASB
- 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
- 5 · best druggability 0.80
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, B
- GOL · Glycerol · additive · 6 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 4 copies · chains A, B
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 540 | 0.80 | 0.86 | 58 | HEM, GOL |
| 2 | 569 | 0.80 | 0.85 | 60 | MES, HEM, GOL, PEG |
| 3 | 67 | 0.38 | 0.79 | 12 | empty |
| 4 | 58 | 0.36 | 0.78 | 12 | GOL |
| 5 | 61 | 0.35 | 0.77 | 13 | GOL |
Interfaces
1 interface between chains.
- A–B · 939 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 7ASB · Crystal structure of dimeric chlorite dismutase variant Q74E (CCld Q74E) from Cyanothece… · 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 7ASB · PDBe 7ASB · UniProt B8HNS6
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