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BioLiP

PDB CCD ID: NFE
Number of entries in BioLiP: 2
Chemical formula: C2 H Fe Ni O3 S2
InChI: InChI=1S/2CO.Fe.Ni.H2OS.S/c2*1-2;;;1-2;/h;;;;1-2H;/q;;+1;;;/p-1
InChIKey: BWHVFYQLNHWUMU-UHFFFAOYSA-M
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=O)=[Fe](=C=O)(SO)S[Ni]
CACTVS 3.341OS[Fe](S[Ni])(=C=O)=C=O
CACTVS 3.341OS[Fe@](S[Ni])(=C=O)=C=O
Name:NI-FE ACTIVE CENTER
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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