GL1X · GenesisL1 explorer

MolNFT v1 · #10711 · protein

Cytochrome P450 bs beta complexed with fatty acid

1IZO · Cytochrome P450 152A1: “Cytochrome P450 bs beta complexed with fatty acid”. X-ray diffraction, 2 ligands (HEM, PAM), 11 pockets (best druggability 0.87). MolNFT v1 #10711 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1IZO
Type
protein
Length
1,233 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cytochrome P450 152A1
EC
1.14.-.-
UniProt
O31440
Ligands
HEM, PAM
Pockets
11 · best druggability 0.87

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CCytochrome P450 152A1 (EC 1.14.-.-)protein41152% helix, 12% strandO31440

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 3 copies · chains A, B, C
  • PAM · Palmitoleic acid · ligand · 3 copies · chains A, B, C

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

Pockets

11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17970.870.9073HEM, PAM
27610.870.9063HEM, PAM
37440.860.8967HEM, PAM
42700.530.7531empty
52540.520.7532empty

Interfaces

1 interface between chains.

  • A–C · 109 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 1IZO · Cytochrome P450 BS beta Complexed with Fatty Acid · the same entry in another collection · chain A against A, TM-score 1.00
  • O31440 · AlphaFold monomer V2.0 prediction for fatty-acid peroxygenase (O31440) · a predicted model of the same protein · chain B against A, TM-score 0.99

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