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K13R mutant of horse cytochrome C and yeast cytochrome C peroxidase complex

Analyse K13R mutant of horse cytochrome C and yeast cytochrome C peroxidase complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4NFG
Type
protein
Length
397 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cytochrome C peroxidase, mitochondrial; Cytochrome C
EC
1.11.1.5
UniProt
P00431, P00004
Ligands
HEM, HEC, UNX
Pockets
2 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACytochrome C peroxidase, mitochondrial (EC 1.11.1.5)protein29349% helix, 7% strandP00431
BCytochrome Cprotein10440% helix, 2% strandP00004

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · chains A
  • HEC · Heme C · ligand · chains A, B
  • UNX · Unknown atom or ion · ion · chains A

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17140.820.8694HEC
23770.800.8945HEM, UNX

Interfaces

1 interface between chains.

  • A–B · 652 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 cofactor (heme c attachment).

Compared structures

  • 4NFG · K13R mutant of horse cytochrome c and yeast cytochrome c peroxidase complex · 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 1.00
  • P00004 · AlphaFold monomer V2.0 prediction for cytochrome C (P00004) · a predicted model of the same protein · chain B against A, TM-score 0.99

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