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Electron transfer complex between cytochrome C and cytochrome C peroxidase

Analyse Electron transfer complex between cytochrome C and cytochrome C peroxidase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

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).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACytochrome C peroxidaseprotein29449% helix, 7% strandP00431
B, DCytochrome C iso-1protein10837% helix, 2% strandP00044
CCytochrome C peroxidaseprotein29550% helix, 7% strandP00431

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13760.800.8942PO4, ZNH
23880.800.8847PO4, ZNH
33640.770.8754HEM
43310.760.8754HEM
52260.730.8934empty

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

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