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Design, synthesis, and mechanism of fluorine-substituted cyclohexene analogues of gama-aminobutyric acid (GABA) as selective ornithine aminotransferase inactivators

Analyse Design, synthesis, and mechanism of fluorine-substituted cyclohexene analogues… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6V8C
Type
protein
Length
1,212 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P04181
Ligands
PLP, QRM

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C—protein404—P04181

Ligands and binding sites

  • PLP · Pyridoxal-5'-phosphate · ligand · 3 copies · chains A, B, C
  • QRM · 3-aminocyclohexa-1,3-diene-1-carboxylic acid · ligand · 3 copies · chains A, B, C

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

Compared structures

  • 6V8C · Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of… · the same entry in another collection · chain A against A, TM-score 1.00
  • P04181 · AlphaFold monomer V2.0 prediction for ornithine aminotransferase, mitochondrial (P04181) · a predicted model of the same protein · chain A against A, TM-score 1.00

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