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MolNFT v1 · #41123 · protein

Cytochrome P460 from nitrosomonas europaea - probable physiological form

2JE3: “Cytochrome P460 from nitrosomonas europaea - probable physiological form”. X-ray diffraction, 2 ligands (HEC, PO4), 1 pocket (best druggability 0.53). MolNFT v1 #41123 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2JE3
Type
protein
Length
157 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cytochrome P460
UniProt
Q50927
Ligands
HEC, PO4
Pockets
1 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 22% helix, 37% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACytochrome P460protein15722% helix, 37% strandQ50927

Ligands and binding sites

  • HEC · Heme C · ligand · chains A
  • PO4 · Phosphate ion · ion · 3 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11060.530.8222HEC, PO4

Modifications

Observed in the structure: 3 cofactor (heme c attachment).

Compared structures

  • 2JE3 · Cytochrome P460 from Nitrosomonas europaea - probable physiological form · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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