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Complex of yeast cytochrome C peroxidase (W191Y) with iso-1 cytochrome C

Analyse Complex of yeast cytochrome C peroxidase (W191Y) 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
5CIH
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
HEC
Pockets
7 · best druggability 0.87

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CCytochrome C peroxidase, mitochondrial (EC 1.11.1.5)protein29439% helix, 8% strandP00431
B, DCytochrome C iso-1protein10331% helix, 0% strandP00044

Ligands and binding sites

  • HEC · Heme C · ligand · 4 copies · chains A, B, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110280.870.88111empty
24670.810.8847HEC
35380.810.8772HEC
43870.810.8947HEC
56090.790.8471HEC

Interfaces

5 interfaces between chains.

  • C–D · 680 Ų buried · 5 hydrogen bonds · protein-protein
  • A–B · 598 Ų buried · 3 hydrogen bonds · protein-protein
  • A–C · 475 Ų buried · 2 hydrogen bonds · protein-protein
  • A–D · 231 Ų buried · 3 hydrogen bonds · protein-protein
  • B–C · 220 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

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

Compared structures

  • 5CIH · Complex of yeast cytochrome c peroxidase (W191Y) 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 B against A, TM-score 0.93

Analyse

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