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Ligand · NEQ

NEQ · N-ethylmaleimide

NEQ, N-ethylmaleimide (C6 H7 N O2, 125.1 g/mol), in the MolNFT structures on GenesisL1: bound in 11 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
NEQ
Formula
C6 H7 N O2
Class
ligand
Structures
11
PDB entries
6

Binding sites

NEQ in 11 structures; the first of them:

  • 1G86 · Charcot-leyden crystal PROTEIN/N-ethylmaleimide complex · NEQ A143 · binds CYS29, ASP85, GLY86
  • 2PUO · Crystal srtucture of the NEM modified ferredoxin:thioredoxin reductase · NEQ A301 · binds VAL35, VAL38, VAL39, CYS57, HIS86, CYS87, MET88
  • 3V61 · Structure of S. cerevisiae PCNA conjugated to SUMO on lysine 164 · NEQ B268 · binds ILE15, GLY18, PHE19, ASP21, CYS22, VAL48, ASP214, LYS217 and 3 more
  • 3V62 · Structure of the S. cerevisiae Srs2 C-terminal domain in complex with PCNA conjugated to… · NEQ B301 · binds ILE15, GLY18, PHE19, ASP21, CYS22, VAL48, ASP214, LYS217 and 3 more
  • 4OZT · crystal structure of the ligand binding domains of the Bovicola ovis ecdysone receptor… · NEQ U401 · binds GLY274, VAL275, GLY276, THR277, CYS365, LEU366, GLU367, LEU369
  • 1G86 · Charcot-leyden crystal PROTEIN/N-ethylmaleimide complex · NEQ A143 · binds CYS29, ASP85, GLY86
  • 2PUO · Crystal srtucture of the nem modified FERREDOXIN:THIOREDOXIN reductase · NEQ A301 · binds VAL35, VAL38, VAL39, CYS57, HIS86, CYS87, MET88
  • 3V61 · Structure of S. cerevisiae PCNA conjugated to sumo on lysine 164 · NEQ B268 · binds ILE15, GLY18, PHE19, ASP21, CYS22, VAL48, ASP214, LYS217 and 3 more
  • 3V62 · Structure of the S. cerevisiae SRS2 C-terminal domain in complex with PCNA conjugated to… · NEQ B301 · binds ILE15, GLY18, PHE19, ASP21, CYS22, VAL48, ASP214, LYS217 and 3 more
  • 4OZT · Crystal structure of the ligand binding domains of the bovicola ovis ecdysone receptor… · NEQ U401 · binds GLY274, VAL275, GLY276, THR277, CYS365, LEU366, GLU367, LEU369
  • 4US0 · The crystal structure of H-RAS and sos in complex with ligands · NEQ R1167 · binds GLY13, VAL14, GLY15, ALA83, ASN85, CYS118, ASP119, GLU942

Residues it binds most

CYS 19, GLY 11, ASP 11, VAL 13, LEU 10, LYS 12, PHE 6, ILE 10, TYR 6, GLN 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • P1A · 2,3,14,20,22-pentahydroxycholest-7-en-6-one
  • SF4 · Iron/sulfur cluster
  • BA · Barium ion

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