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Ligand · NES

NES · 2-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-ethanesulfonic acid

NES, 2-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-ethanesulfonic acid (C6 H15 N O6 S, 229.2 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…

Component
NES
Formula
C6 H15 N O6 S
Class
ligand
Structures
6
PDB entries
3

Binding sites

NES in 6 structures; the first of them:

  • 1ELV · Crystal structure of the catalytic domain of human complement C1S protease · NES A2003 · binds HIS496, ASN513, ASN600, ASN655, TYR656, VAL657, ASP658, TRP659
  • 1YNL · Identification of Key residues of the NC6.8 Fab antibody fragment binding to synthetic… · NES L501 · binds HIS27D, TYR32, HIS34, GLY91, THR92, TYR96, TRP33, GLY95 and 4 more
  • 3WYC · Structure of a meso-diaminopimelate dehydrogenase in complex with NADP · NES A1002 · binds ASP94, TRP123, ASP124, TRP148, VAL152, SER153, HIS156, THR173 and 3 more
  • 1ELV · Crystal structure of the catalytic domain of human complement C1S protease · NES A2003 · binds HIS496, ASN513, ASN600, ASN655, TYR656, VAL657, ASP658, TRP659
  • 1YNL · Identification of key residues of the NC6.8 Fab antibody fragment binding to synthetic… · NES L501 · binds HIS27D, TYR32, HIS34, GLY91, THR92, TYR96, TRP33, GLY95 and 4 more
  • 3WYC · Structure of a meso-diaminopimelate dehydrogenase in complex with NADP · NES A1002 · binds ASP94, TRP123, ASP124, TRP148, VAL152, SER153, HIS156, THR173 and 3 more

Residues it binds most

ASP 10, HIS 8, TRP 8, TYR 8, ASN 6, VAL 10, ARG 8, SER 6, THR 6, GLN 4 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • FUC · alpha-L-fucopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion

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