MolNFT v1 · #31980 · protein
Solvent isotope effects on interfacial protein electron transfer between cytochrome C and cytochrome C peroxidase
2BCN: “Solvent isotope effects on interfacial protein electron transfer between cytochrome C and cytochrome C…”. X-ray diffraction, 2 ligands (ZNH, HEC), 5 pockets (best druggability 0.83). MolNFT v1 #31980 on GenesisL1: 3D structure…
- PDB
- 2BCN
- Type
- protein
- Length
- 696 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome C peroxidase; Cytochrome C iso-1
- EC
- 1.11.1.5
- UniProt
- P00044
- Ligands
- ZNH, HEC
- Pockets
- 5 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Cytochrome C peroxidase (EC 1.11.1.5) | protein | 294 | 50% helix, 8% strand | — |
| B | Cytochrome C iso-1 | protein | 108 | 33% helix, 4% strand | P00044 |
Ligands and binding sites
- ZNH · Protoporphyrin IX containing Zn · ligand · 2 copies · chains A, C
- HEC · Heme C · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 736 | 0.83 | 0.87 | 90 | HEC |
| 2 | 375 | 0.82 | 0.91 | 46 | ZNH |
| 3 | 391 | 0.80 | 0.89 | 46 | ZNH |
| 4 | 388 | 0.62 | 0.78 | 44 | empty |
| 5 | 113 | 0.37 | 0.74 | 18 | empty |
Interfaces
2 interfaces between chains.
- A–B · 640 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 326 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 cofactor (heme c attachment).
Compared structures
- 2BCN · Solvent isotope effects on interfacial protein electron transfer between cytochrome c and… · the same entry in another collection · chain A against A, TM-score 1.00
- P00044 · AlphaFold monomer V2.0 prediction for cytochrome C isoform 1 (P00044) · 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 P00044
- Elsewhere: RCSB PDB 2BCN · PDBe 2BCN · UniProt P00044
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