GL1X · GenesisL1 explorer

Ligand · 4WX

4WX · Bis(cyanido-kappac)(dicarbonyl)-mu-(oxomethylidene)-mu-(sulfanediyldimethanethiolatato-1kappas:2kappas) diiron(2+)

4WX, Bis(cyanido-kappac)(dicarbonyl)-mu-(oxomethylidene)-mu-(sulfanediyldimethanethiolatato-1kappas:2kappas) diiron(2+) (C7 H4 Fe2 N2 O3 S3 +2, 372.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
4WX
Formula
C7 H4 Fe2 N2 O3 S3 +2
Class
ligand
Structures
2
PDB entries
1

Binding sites

4WX in 2 structures; the first of them:

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

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