MolNFT v1 · #23661 · protein
Electron transfer complex between cytochrome C and cytochrome C peroxidase
1U74: “Electron transfer complex between cytochrome C and cytochrome C peroxidase”. X-ray diffraction, 3 ligands (ZNH, HEM, PO4), 8 pockets (best druggability 0.80). MolNFT v1 #23661 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1U74
- Type
- protein
- Length
- 805 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome C peroxidase; Cytochrome C iso-1
- UniProt
- P00431, P00044
- Ligands
- ZNH, HEM, PO4
- Pockets
- 8 · best druggability 0.80
Structure
x-ray diffraction · 3 distinct chains · 48% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome C peroxidase | protein | 294 | 49% helix, 7% strand | P00431 |
| B, D | Cytochrome C iso-1 | protein | 108 | 37% helix, 2% strand | P00044 |
| C | Cytochrome C peroxidase | protein | 295 | 50% helix, 7% strand | P00431 |
Ligands and binding sites
- ZNH · Protoporphyrin IX containing Zn · ligand · 2 copies · chains A, C
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B, C, D
- PO4 · Phosphate ion · ion · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 376 | 0.80 | 0.89 | 42 | PO4, ZNH |
| 2 | 388 | 0.80 | 0.88 | 47 | PO4, ZNH |
| 3 | 364 | 0.77 | 0.87 | 54 | HEM |
| 4 | 331 | 0.76 | 0.87 | 54 | HEM |
| 5 | 226 | 0.73 | 0.89 | 34 | empty |
Interfaces
3 interfaces between chains.
- C–D · 651 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 633 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 178 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 cofactor (heme attachment).
Compared structures
- 1U74 · Electron Transfer Complex between cytochrome C and cytochrome C peroxidase · the same entry in another collection · chain D against D, TM-score 1.00
- P00431 · AlphaFold monomer V2.0 prediction for cytochrome C peroxidase, mitochondrial (P00431) · a predicted model of the same protein · 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 D against A, TM-score 0.98
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 P00431
- Every structure of UniProt P00044
- Elsewhere: RCSB PDB 1U74 · PDBe 1U74 · UniProt P00431 · UniProt P00044
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