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MolNFT v1 · #159879 · protein

Yeast cytochrome C peroxidase in complex with iso-1 cytochrome C (Y48K)

6P43 · Cytochrome C peroxidase, mitochondrial: “Yeast cytochrome C peroxidase in complex with iso-1 cytochrome C (Y48K)”. X-ray diffraction, 1 ligand (HEM), 6 pockets (best druggability 0.80). MolNFT v1 #159879 on GenesisL1: 3D structure…

PDB
6P43
Type
protein
Length
696 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cytochrome C peroxidase, mitochondrial; Cytochrome C iso-1
EC
1.11.1.5
UniProt
P00431, P00044
Ligands
HEM
Pockets
6 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CCytochrome C peroxidase, mitochondrial (EC 1.11.1.5)protein29450% helix, 8% strandP00431
BCytochrome C iso-1protein10835% helix, 2% strandP00044

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 3 copies · chains A, B, C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13840.800.8944HEM
24940.790.8653HEM
35370.750.8369HEM
42840.750.8837empty
51730.450.7529empty

Interfaces

2 interfaces between chains.

  • A–B · 608 Ų buried · 3 hydrogen bonds · protein-protein
  • A–C · 564 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 cofactor (heme attachment).

Compared structures

  • 6P43 · Yeast cytochrome c peroxidase in complex with iso-1 cytochrome c (Y48K) · the same entry in another collection · chain A against A, 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 0.99
  • 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 0.95

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