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Ligand · NWN

NWN · hydrido[hydridonickel(2+)]bis(hydrocyanato-1kappaC)(hydroxymethyl)iron

NWN, hydrido[hydridonickel(2+)]bis(hydrocyanato-1kappaC)(hydroxymethyl)iron (C3 H4 Fe N2 Ni O +1, 198.6 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…

Component
NWN
Formula
C3 H4 Fe N2 Ni O +1
Class
ligand
Structures
4
PDB entries
2

Binding sites

NWN in 4 structures; the first of them:

  • 4U9H · Ultra High Resolution Structure Of The Ni-R State Of [Nife]Hydrogenase From… · NWN L601 · binds CYS81, CYS84, THR87, HIS88, ALA477, PRO478, ARG479, LEU482 and 5 more
  • 4U9I · High Resolution Structure Of The Ni-R State Of [Nife]Hydrogenase From Desulufovibrio… · NWN L601 · binds CYS81, CYS84, THR87, HIS88, ALA477, PRO478, ARG479, LEU482 and 5 more
  • 4U9H · Ultra high resolution structure of the ni-R state of [NIFE]HYDROGENASE from… · NWN L601 · binds CYS81, CYS84, THR87, HIS88, ALA477, PRO478, ARG479, LEU482 and 5 more
  • 4U9I · High resolution structure of the ni-R state of [NIFE]HYDROGENASE from desulufovibrio… · NWN L601 · binds CYS81, CYS84, THR87, HIS88, ALA477, PRO478, ARG479, LEU482 and 5 more

Residues it binds most

CYS 4, PRO 4, ALA 4, ARG 4, HIS 4, LEU 4, SER 4, THR 4, VAL 4 (residue and the binding sites it lines).

Found with

  • F3S · FE3-S4 cluster
  • SF4 · Iron/sulfur cluster
  • MG · Magnesium ion
  • MPD · (4S)-2-methyl-2,4-pentanediol
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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