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BioLiP Library

PDB CCD ID: 82N
Number of entries in BioLiP: 1
Chemical formula: C Fe3 N Ni S4
InChI: InChI=1S/CN.3Fe.Ni.4S/c1-2;;;;;;;;/q;;;;;;3*+1
InChIKey: FCGMBZZPUCDYKZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(#N)[Ni]12[S+]3[Fe]1456[S+]2[Fe]478[Fe]53([S+]67)S8
OpenEye OEToolkits 1.7.6C(#N)[Ni]12[S@+]3[Fe]1456[S@@+]2[Fe]478[Fe]53([S+]67)S8
CACTVS 3.385N#C[Ni]12[S+]3[Fe]|456S[Fe]78|4[S+]5[Fe]1367[S+]28
CACTVS 3.385N#C[Ni]12[S@@+]3[Fe]|456S[Fe]78|4[S+]5[Fe]1367[S@+]28
Name:NICKEL IRON CLSUTER WITH CYANIDE BOUND
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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