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BioLiP Library

PDB CCD ID: BJ8
Number of entries in BioLiP: 13
Chemical formula: Fe8 S9
InChI: InChI=1S/8Fe.9S
InChIKey: CSVVAMDLRWBOEA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2.S3[Fe]S[Fe]3S[Fe]4S[Fe]S4
OpenEye OEToolkits 2.0.6S([Fe]12[S]3[Fe]4[S]1[Fe]5[S]4[Fe]3[S]25)[Fe]67[S]8[Fe]9[S]6[Fe]1[S]9[Fe]8[S]71
Name:Double cubane cluster
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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