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Ligand · 0IM

0IM · 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid

0IM, 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid (C11 H7 F3 N2 O2, 256.2 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
0IM
Formula
C11 H7 F3 N2 O2
Class
ligand
Structures
3
PDB entries
2

Binding sites

0IM in 3 structures; the first of them:

  • 7ORZ · Crystal structure of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) from… · 0IM A501 · binds GLY130, ALA131, TYR132, GLY133, ARG166, ARG224, LEU228, GLY238 and 2 more
  • 8QID · Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex… · 0IM A201 · binds THR14, GLY16, HIS17, VAL20, GLY88, THR118, TYR122, VAL125 and 3 more
  • 7ORZ · Crystal structure of udp-N-acetylenolpyruvoylglucosamine reductase (murb) from… · 0IM A501 · binds GLY130, ALA131, TYR132, ARG166, LEU228, GLY238, SER239, VAL301

Residues it binds most

GLY 5, SER 5, VAL 5, THR 3, ARG 4, TYR 5, HIS 3, ALA 2, LEU 2 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • GOL · Glycerol

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