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BioLiP

PDB CCD ID: NFV
Number of entries in BioLiP: 24
Chemical formula: C3 Fe N2 Ni O2
InChI: InChI=1S/2CN.CO.Fe.Ni.O/c3*1-2;;;
InChIKey: MPQMGFDSXFFIQL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(#N)[Fe](C#N)(C#O)O[Ni]
CACTVS 3.370[Ni]O[Fe](|[C-]#[O+])(C#N)C#N
Name:NI-FE OXIDIZED 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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