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Ligand · JKK

JKK · 2-[(3-chlorobenzyl)amino]ethanesulfonic acid

JKK, 2-[(3-chlorobenzyl)amino]ethanesulfonic acid (C9 H12 Cl N O3 S, 249.7 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
JKK
Formula
C9 H12 Cl N O3 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

JKK in 4 structures; the first of them:

  • 4FPF · Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with… · JKK A701 · binds ARG245, ASP270, SER271, ILE326, ASP327, ASP344, MET346, GLY351 and 9 more
  • 4XHX · Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with… · JKK A701 · binds ARG245, ASP270, SER271, ILE326, ASP327, ASP344, MET346, GLY351 and 10 more
  • 4FPF · Crystal structure of the nanb sialidase from streptococcus pneumoniae in complex with… · JKK A701 · binds ARG245, ASP270, SER271, ILE326, ASP327, ASP344, MET346, GLY351 and 9 more
  • 4XHX · Crystal structure of the nanb sialidase from streptococcus pneumoniae in complex with… · JKK A701 · binds ARG245, ASP270, SER271, ILE326, ASP327, ASP344, MET346, GLY351 and 10 more

Residues it binds most

ARG 4, ASP 4, TYR 4, SER 4, ASN 4, GLU 4, GLY 4, ILE 4, MET 4, TRP 4 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • OPX · (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid

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