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MolNFT v1 · #110361 · protein

Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (comt): structure with CMPD32 ([1- (biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-YL]BORONIC acid)

4XUD: “Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase…”. X-ray diffraction. MolNFT v1 #110361 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4XUD
Type
protein
Length
219 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P21964

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein219—P21964

Compared structures

  • 4XUD · Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of… · the same entry in another collection · chain A against A, TM-score 1.00
  • P21964 · AlphaFold monomer V2.0 prediction for catechol O-methyltransferase (P21964) · a predicted model of the same protein · chain A against A, TM-score 0.97

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