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MolNFT v1 · #36081 · protein

Cytochrome C peroxidase (ccp) in complex with benzylamine

2EUS: “Cytochrome C peroxidase (ccp) in complex with benzylamine”. X-ray diffraction, 2 ligands (HEM, ABN), 2 pockets (best druggability 0.82). MolNFT v1 #36081 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2EUS
Type
protein
Length
292 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cytochrome C peroxidase
EC
1.11.1.5
UniProt
P00431
Ligands
HEM, ABN
Pockets
2 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACytochrome C peroxidase (EC 1.11.1.5)protein29251% helix, 8% strandP00431

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · chains A
  • ABN · Benzylamine · ligand · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13730.820.9051HEM, ABN
2850.370.7618empty

Compared structures

  • 2EUS · Cytochrome c peroxidase (CCP) in complex with benzylamine · 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

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