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BioLiP

PDB CCD ID: MSK
Number of entries in BioLiP: 3
Chemical formula: Fe4 S4
InChI: InChI=1S/4Fe.4S/q;;;;;;2*+1
InChIKey: BEJQIPSIAWWLMO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7S1[Fe]2S[Fe]3[S+]2[Fe]1[S+]3[Fe]
CACTVS 3.385[Fe][S+]1[Fe]2S[Fe]3S[Fe]1[S+]23
Name:Broken Fe4S4 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).
  • 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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