MolNFT v1 · #66345 · protein
Crystal structure of the cu-induced dimer of the engineered cyt CB562 variant ridc-1
3HNL · Soluble cytochrome B562: “Crystal structure of the cu-induced dimer of the engineered cyt CB562 variant ridc-1”. X-ray diffraction, 3 ligands (HEM, CU, CL), 3 pockets (best druggability 0.56). MolNFT v1 #66345 on GenesisL1: 3D…
- PDB
- 3HNL
- 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
- HEM, CU, CL
- Pockets
- 3 · best druggability 0.56
Structure
x-ray diffraction · 1 distinct chain · 79% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Soluble cytochrome B562 | protein | 106 | 79% helix, 0% strand | P0ABE7 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- CU · Copper (II) ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 128 | 0.56 | 0.82 | 21 | HEM |
| 2 | 139 | 0.55 | 0.81 | 23 | HEM |
| 3 | 120 | 0.41 | 0.75 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 716 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 cofactor (heme attachment).
Compared structures
- 3HNL · Crystal structure of the Cu-induced dimer of the engineered cyt cb562 variant RIDC-1 · the same entry in another collection · chain A against A, TM-score 1.00
- P0ABE7 · AlphaFold monomer V2.0 prediction for soluble cytochrome B562 (P0ABE7) · a predicted model of the same protein · chain B against A, TM-score 0.97
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 3HNL · PDBe 3HNL · UniProt P0ABE7
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