GL1X · GenesisL1 explorer

Ligand · 2HN

2HN · (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid

2HN, (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid (C14 H11 F5 O6, 370.2 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with…

Component
2HN
Formula
C14 H11 F5 O6
Class
ligand
Structures
6
PDB entries
3

Binding sites

2HN in 6 structures; the first of them:

  • 4B6P · Structure of Mycobacterium tuberculosis Type II Dehydroquinase inhibited by… · 2HN A1145 · binds PRO11, ASN12, LEU13, ARG15, LEU16, ARG19, TYR24, ASN75 and 9 more
  • 4B6S · Structure of Helicobacter pylori Type II Dehydroquinase inhibited by… · 2HN A200 · binds PRO9, ASN10, LEU11, MET13, LEU14, TYR22, ASN76, GLY78 and 10 more
  • 4V0S · Crystal structure of Mycobacterium tuberculosis Type II Dehydroquinase D88N mutant… · 2HN A1147 · binds PRO11, ASN12, LEU13, ARG15, LEU16, ARG19, GLU20, TYR24 and 8 more
  • 4B6P · Structure of mycobacterium tuberculosis type II dehydroquinase inhibited by… · 2HN A1145 · binds PRO11, ASN12, LEU13, ARG15, LEU16, ARG19, TYR24, ASN75 and 9 more
  • 4B6S · Structure of helicobacter pylori type II dehydroquinase inhibited by… · 2HN A200 · binds PRO9, ASN10, LEU11, MET13, LEU14, TYR22, ASN76, GLY78 and 10 more
  • 4V0S · Crystal structure of mycobacterium tuberculosis type II dehydroquinase D88N mutant… · 2HN A1147 · binds PRO11, ASN12, LEU13, ARG15, LEU16, ARG19, GLU20, TYR24 and 8 more

Residues it binds most

LEU 12, ARG 14, ASN 14, HIS 12, GLY 12, ILE 14, PRO 12, TYR 12, THR 10, ALA 8 (residue and the binding sites it lines).

Found with

  • 7HN · 3,4-dihydroxy-2-[(2,3,4,5,6-pentafluorophenyl)methyl]benzoic acid
  • NA · Sodium ion
  • CL · Chloride ion
  • PO4 · Phosphate ion
  • SO4 · Sulfate ion

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