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MolNFT v1 · #33585 · protein

Crystal structure of the cytochrome P450-cam active site mutant THR252ALA

2CP4: “Crystal structure of the cytochrome P450-cam active site mutant THR252ALA”. X-ray diffraction, 2 ligands (HEM, CAM), 2 pockets (best druggability 0.86). MolNFT v1 #33585 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2CP4
Type
protein
Length
405 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cytochrome P450-cam
EC
1.14.15.1
UniProt
P00183
Ligands
HEM, CAM
Pockets
2 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACytochrome P450-cam (EC 1.14.15.1)protein40552% helix, 10% strandP00183

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · chains A
  • CAM · Camphor · 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
14600.860.9349HEM, CAM
2690.390.8014empty

Compared structures

  • 2CP4 · Crystal structure of the cytochrome P450-cam active site mutant THR252ALA · the same entry in another collection · chain A against A, TM-score 1.00
  • P00183 · AlphaFold monomer V2.0 prediction for camphor 5-monooxygenase (P00183) · a predicted model of the same protein · chain A against A, TM-score 1.00

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