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Crystal structure of dimeric chlorite dismutase variant Q74E (ccld Q74E) from cyanothece sp. PCC7425
Analyse Crystal structure of dimeric chlorite dismutase variant Q74E (ccld Q74E) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 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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