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Crystal structure of cytochrome P450 olet in complex with formate

Analyse Crystal structure of cytochrome P450 olet in complex with formate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5M0N
Type
protein
Length
423 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Terminal olefin-forming fatty acid decarboxylase
UniProt
E9NSU2
Ligands
HEM, SO4
Pockets
3 · best druggability 0.88

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATerminal olefin-forming fatty acid decarboxylaseprotein42350% helix, 12% strandE9NSU2

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · chains A
  • SO4 · Sulfate ion · ion · chains A
  • FMT · Formic acid · additive · 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
15730.880.9359HEM, FMT
2530.300.7616empty
3600.290.7514empty

Compared structures

  • 5M0N · Crystal structure of cytochrome P450 OleT in complex with formate · the same entry in another collection · chain A against A, TM-score 1.00

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