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Ligand · N88

N88 · (1R,4R,5R)-3-(tert-butylcarbamoyl)-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid

N88, (1R,4R,5R)-3-(tert-butylcarbamoyl)-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid (C12 H19 N O6, 273.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
N88
Formula
C12 H19 N O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

N88 in 2 structures; the first of them:

  • 3N8N · Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in… · N88 A147 · binds ASN12, LEU13, LEU16, GLU20, ASN75, GLY77, GLY78, HIS81 and 7 more
  • 3N8N · Crystal structure of 3-dehydroquinate dehydratase from mycobacterium tuberculosis in… · N88 A147 · binds ASN12, LEU13, LEU16, GLU20, ASN75, GLY77, GLY78, HIS81 and 7 more

Residues it binds most

ARG 28, ASN 28, GLY 28, HIS 28, VAL 28, LEU 28, ASP 28, ILE 28, SER 28, PRO 18 (residue and the binding sites it lines).

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