BioLiP

PDB

BioLiP

PDB CCD ID:

NFV

Number of entries in BioLiP:

Chemical formula:

C3 Fe N2 Ni O2

InChI:

InChI=1S/2CN.CO.Fe.Ni.O/c3*1-2;;;

InChIKey:

MPQMGFDSXFFIQL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C(#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, Lydia 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).