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Humanized rat catechol O-methyltransferase in complex with 6-(4- fluorophenyl)-8-hydroxy-3H-quinazolin-4-one

Analyse Humanized rat catechol O-methyltransferase in complex with 6-(4… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5P9T
Type
protein
Length
214 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P22734
Ligands
7JD, D1D, MG, CL, SO4

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein214—P22734

Ligands and binding sites

  • 7JD · 6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one · ligand · chains A
  • D1D · (4S,5S)-1,2-dithiane-4,5-diol · ligand · chains A
  • MG · Magnesium ion · metal · chains A
  • CL · Chloride ion · ion · chains A
  • SO4 · Sulfate ion · ion · chains A
  • NHE · 2-[N-cyclohexylamino]ethane sulfonic acid · additive · chains A

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

Compared structures

  • 5P9T · humanized rat catechol O-methyltransferase in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
  • P22734 · AlphaFold monomer V2.0 prediction for catechol O-methyltransferase (P22734) · a predicted model of the same protein · chain A against A, TM-score 0.99

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