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Crystal structures of metyrapone-and phenylimidazole-inhibited complexes of cytochrome P450-cam

Analyse Crystal structures of metyrapone-and phenylimidazole-inhibited complexes of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1PHD
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, PIW
Pockets
3 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACytochrome P450-cam (EC 1.14.15.1)protein40552% helix, 11% strandP00183

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · chains A
  • PIW · 1-phenyl-1H-imidazole · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14500.860.9351HEM, PIW
2850.400.7817empty
3510.290.7514empty

Compared structures

  • 1PHD · Crystal structures of metyrapone-and phenylimidazole-inhibited complexes of cytochrome… · 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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