BioLiP

PDB

BioLiP

PDB CCD ID:

NFB

Number of entries in BioLiP:

Chemical formula:

C3 H2 Fe N Ni O3

InChI:

InChI=1/CN.2CHO.Fe.Ni.O/c3*1-2;;;/h;2*1H;;;/rC3H2FeNNiO3/c5-1-4(2-7,3-8)9-6/h2-3H

InChIKey:

FQZPNHHVQDQMNS-YIXQKJCHAH

SMILES:

Software	SMILES
CACTVS 3.341	[Ni]O[Fe@](C=O)(C=O)C#N
CACTVS 3.341	[Ni]O[Fe](C=O)(C=O)C#N
OpenEye OEToolkits 1.5.0	C(=O)[Fe](C=O)(C#N)O[Ni]

Name:

NI-FE ACTIVE CENTER B-FORM

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).