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Yeast cytochrome C peroxidase (W191Y:L232H) in complex with iso-1 cytochrome C

Analyse Yeast cytochrome C peroxidase (W191Y:L232H) in complex with iso-1 cytochrome C in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6P42
Type
protein
Length
794 residues
Chains
4
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
11 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CCytochrome C peroxidase, mitochondrial (EC 1.11.1.5)protein29448% helix, 7% strandP00431
B, DCytochrome C iso-1protein10337% helix, 0% strandP00044

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B, C, D

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

Pockets

11 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16490.810.8654empty
23700.810.9044HEM
32180.800.9335empty
43610.790.8947HEM
54380.790.8755HEM

Interfaces

5 interfaces between chains.

  • C–D · 697 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 644 Ų buried · 6 hydrogen bonds · protein-protein
  • A–C · 458 Ų buried · 3 hydrogen bonds · protein-protein
  • B–C · 246 Ų buried · 3 hydrogen bonds · protein-protein
  • A–D · 202 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 4 cofactor (heme attachment).

Compared structures

  • 6P42 · Yeast cytochrome c peroxidase (W191Y:L232H) in complex with iso-1 cytochrome c · 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 C 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 D against A, TM-score 0.95

Analyse

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