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BioLiP

PDB CCD ID: S3F
Number of entries in BioLiP: 4
Chemical formula: Fe4 O S3
InChI: InChI=1S/4Fe.H2O.3S/h;;;;1H2;;;/q;;;+1;;;;/p-1
InChIKey: ROWMPBKAWWBNCP-UHFFFAOYSA-M
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6[O][Fe]1[S]([Fe]2[S]1[Fe]S2)[Fe]
CACTVS 3.370O|[Fe]|1S|2[Fe]S[Fe]|2S|1[Fe]
Name:oxidized [Fe4-S3] 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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