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BioLiP

PDB CCD ID: 6ML
Number of entries in BioLiP: 34
Chemical formula: Fe4 O2 S4
InChI: InChI=1S/4Fe.2O.H2S.3S/h;;;;;;1H2;;;/q;;;+1;;;;;;/p-1
InChIKey: DCVJTSMMUVGUAG-UHFFFAOYSA-M
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5O1[Fe](O[Fe]2S[Fe]3[S]2[Fe]1S3)[S]
CACTVS 3.385S.O1[Fe]O[Fe]2S[Fe](S[Fe]1)S2
Name:oxygen-damaged SF4
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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