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MolNFT v1 · #47888 · protein

Crystal structure of a complex between electron transfer partners, cytochrome C peroxidase and cytochrome C

2PCB · Cytochrome C peroxidase (ccp): “Crystal structure of a complex between electron transfer partners, cytochrome C peroxidase and cytochrome C”. X-ray diffraction, 1 ligand (HEM), 6 pockets (best druggability 0.83). MolNFT v1 #47888 on…

PDB
2PCB
Type
protein
Length
692 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cytochrome C peroxidase (ccp); Cytochrome C
UniProt
P00431, P00004
Ligands
HEM
Pockets
6 · best druggability 0.83

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CCytochrome C peroxidase (ccp)protein29449% helix, 7% strandP00431
BCytochrome Cprotein10437% helix, 2% strandP00004

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
16790.830.8778HEM
29200.800.8280empty
33760.800.8946HEM
44060.800.8844HEM
5670.300.7412empty

Interfaces

2 interfaces between chains.

  • A–C · 658 Ų buried · 12 hydrogen bonds · protein-protein
  • A–B · 568 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 2PCB · Crystal structure of a complex between electron transfer partners, cytochrome C… · 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 C against A, TM-score 0.99
  • P00004 · AlphaFold monomer V2.0 prediction for cytochrome C (P00004) · a predicted model of the same protein · chain B against A, TM-score 0.98

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