GL1X · GenesisL1 explorer

Ligand · 4WW

4WW · bis(cyanido-kappaC)(dicarbonyl)-mu-(oxomethylidene)[mu-propane-1,3-bis(thiolate)-1kappa~2~S~1~,S~3~:2kappa~2~S~1~,S~3~] diiron(2+)

4WW, bis(cyanido-kappaC)(dicarbonyl)-mu-(oxomethylidene)[mu-propane-1,3-bis(thiolate)-1kappa~2~S~1~,S~3~:2kappa~2~S~1~,S~3~] diiron(2+) (C8 H6 Fe2 N2 O3 S2 +2, 354.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
4WW
Formula
C8 H6 Fe2 N2 O3 S2 +2
Class
ligand
Structures
2
PDB entries
1

Binding sites

4WW in 2 structures; the first of them:

  • 5BYR · Semisynthetic [FeFe]-hydrogenase CpI with propane-dithiolato-bridged [2Fe] cofactor · 4WW A606 · binds ALA230, PRO231, SER232, ILE268, ALA272, CYS299, CYS300, SER323 and 11 more
  • 5BYR · Semisynthetic [fefe]-hydrogenase cpi with propane-dithiolato-bridged [2FE] cofactor · 4WW A606 · binds ALA230, PRO231, SER232, ILE268, ALA272, CYS299, CYS300, SER323 and 11 more

Residues it binds most

CYS 4, PRO 4, ALA 4, MET 4, SER 4, GLN 4, GLY 4, ILE 4, LYS 4, PHE 4 (residue and the binding sites it lines).

Found with

  • FES · Fe2/s2 (inorganic) cluster
  • SF4 · Iron/sulfur cluster
  • MG · Magnesium ion
  • GOL · Glycerol

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