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BioLiP

PDB CCD ID: WCC
Number of entries in BioLiP: 20
Chemical formula: Fe3 Ni S4
InChI: InChI=1S/3Fe.Ni.4S
InChIKey: SEEZYPKDPRYISB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Ni]2
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ni]45
Name:FE(3)-NI(1)-S(4) CLUSTER;
C CLUSTER CUBANE
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).
  • 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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