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Ligand · IFP

IFP · 2-trifluoromethyl-5-methylene-5H-pyrimidin-4-ylideneamine

IFP, 2-trifluoromethyl-5-methylene-5H-pyrimidin-4-ylideneamine (C6 H4 F3 N3, 175.1 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
IFP
Formula
C6 H4 F3 N3
Class
ligand
Structures
6
PDB entries
3

Binding sites

IFP in 6 structures; the first of them:

  • 1G6C · Thiamin phosphate synthase · IFP A2001 · binds TYR29, ILE31, GLN57, ARG59, ASN92, HIS107, ALA130, TYR147 and 4 more
  • 3NM1 · The Crystal Structure of Candida glabrata THI6, a Bifunctional Enzyme involved in Thiamin… · IFP A542 · binds TYR13, VAL15, GLN43, ARG45, ASN75, HIS90, SER114, TYR134 and 6 more
  • 3O15 · Crystal Structure of Bacillus subtilis Thiamin Phosphate Synthase Complexed with a… · IFP A237 · binds TYR29, ILE31, GLN57, ARG59, ASN92, HIS107, SER130, TYR147 and 5 more
  • 1G6C · Thiamin phosphate synthase · IFP A2001 · binds TYR29, ILE31, GLN57, ARG59, ASN92, HIS107, ALA130, TYR147 and 4 more
  • 3NM1 · The crystal structure of candida glabrata THI6, a bifunctional enzyme involved in thiamin… · IFP A542 · binds TYR13, VAL15, GLN43, ARG45, ASN75, HIS90, SER114, TYR134 and 6 more
  • 3O15 · Crystal structure of bacillus subtilis thiamin phosphate synthase complexed with a… · IFP A237 · binds TYR29, ILE31, GLN57, ARG59, ASN92, HIS107, SER130, TYR147 and 5 more

Residues it binds most

TYR 18, VAL 18, ILE 18, SER 18, ARG 18, ASN 18, GLN 18, GLY 18, HIS 18, CYS 12 (residue and the binding sites it lines).

Found with

  • POP · Pyrophosphate 2-
  • 3NM · 4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazole-2-carboxylic acid
  • MG · Magnesium ion
  • TZP · 4-methyl-5-hydroxyethylthiazole phosphate

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