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Ligand · XXH

XXH · 4-nitrobenzaldehyde

XXH, 4-nitrobenzaldehyde (C7 H5 N O3, 151.1 g/mol), in the MolNFT structures on GenesisL1: bound in 12 records (6 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
XXH
Formula
C7 H5 N O3
Class
ligand
Structures
12
PDB entries
6

Binding sites

XXH in 12 structures; the first of them:

  • 4FLF · Structure of three phase partition treated lipase from Thermomyces lanuginosa at 2.15A… · XXH A307 · binds SER3, ASP5
  • 4GLB · Structure of p-nitrobenzaldehyde inhibited lipase from Thermomyces lanuginosa at 2.69 A… · XXH A301 · binds GLY61, ARG81, SER83, ARG84, SER85, TRP89, LEU147
  • 4KJX · Crystal Structure of the complex of three phase partition treated lipase from Thermomyces… · XXH B305 · binds ASP5, ASN8, GLN9, LEU12, PHE13, ASN73, LEU75, ARG139
  • 4N8S · Crystal Structure of the ternary complex of lipase from Thermomyces lanuginosa with… · XXH A302 · binds ALA14, GLN15, ALA18, ASN39, ALA40, PRO42, TYR261, PHE262 and 5 more
  • 4Q9E · Structure of the ternary complex of peptidoglycan recognition protein, PGRP-S with… · XXH C202 · binds PRO96, THR97, GLN150, TRP66, ALA92, HIS93, ALA94, GLY95 and 1 more
  • 4S0X · Structure of three phase partition - treated lipase from Thermomyces lanuginosa in… · XXH B306 · binds ASP5, ASN8, GLN9, LEU12, PHE13, ASN73, LEU75, ARG139
  • 4FLF · Structure of three phase partition treated lipase from thermomyces lanuginosa at 2.15A… · XXH A307 · binds SER3, ASP5
  • 4GLB · Structure of P-nitrobenzaldehyde inhibited lipase from thermomyces lanuginosa at 2.69 a… · XXH A301 · binds GLY61, ARG81, SER83, ARG84, SER85, TRP89, LEU147
  • 4KJX · Crystal structure of the complex of three phase partition treated lipase from thermomyces… · XXH B305 · binds ASP5, ASN8, GLN9, LEU12, PHE13, ASN73, LEU75, ARG139
  • 4N8S · Crystal structure of the ternary complex of lipase from thermomyces lanuginosa with… · XXH A302 · binds ALA14, GLN15, ALA18, ASN39, ALA40, PRO42, TYR261, PHE262 and 5 more
  • 4Q9E · Structure of the ternary complex of peptidoglycan recognition protein, pgrp-S with… · XXH C202 · binds PRO96, THR97, GLN150, TRP66, ALA92, HIS93, ALA94, GLY95 and 1 more
  • 4S0X · Structure of three phase partition - treated lipase from thermomyces lanuginosa in… · XXH B306 · binds ASP5, ASN8, GLN9, LEU12, PHE13, ASN73, LEU75, ARG139

Residues it binds most

LEU 12, ASN 10, ALA 4, ARG 8, ASP 10, GLN 10, SER 6, GLY 8, PHE 6, TRP 6 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • EDO · 1,2-ethanediol
  • DAO · Lauric acid
  • ACT · Acetate ion
  • EAC · ethyl 3-oxobutanoate
  • TLA · L(+)-tartaric acid

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