MolNFT v1 · #113921 · protein
Domain-swapped cytochrome CB562 dimer
5AWI · Soluble cytochrome B562: “Domain-swapped cytochrome CB562 dimer”. X-ray diffraction, 3 ligands (HEC, ZN, SO4), 3 pockets (best druggability 0.66). MolNFT v1 #113921 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5AWI
- Type
- protein
- Length
- 212 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Soluble cytochrome B562
- UniProt
- P0ABE7
- Ligands
- HEC, ZN, SO4
- Pockets
- 3 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 83% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Soluble cytochrome B562 | protein | 106 | 83% helix, 0% strand | P0ABE7 |
Ligands and binding sites
- HEC · Heme C · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 7 copies · chains A, B
- SO4 · Sulfate ion · ion · 3 copies · chains A, 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 400 | 0.66 | 0.80 | 42 | empty |
| 2 | 147 | 0.59 | 0.83 | 21 | HEC |
| 3 | 138 | 0.58 | 0.83 | 23 | HEC |
Interfaces
1 interface between chains.
- A–B · 2465 Ų buried · 27 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 cofactor (heme c attachment).
Compared structures
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 P0ABE7
- Elsewhere: RCSB PDB 5AWI · PDBe 5AWI · UniProt P0ABE7
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