BioLiP

PDB

BioLiP

PDB CCD ID:

NFC

Number of entries in BioLiP:

Chemical formula:

C3 H2 Fe N Ni O4

InChI:

InChI=1S/CN.2CHO.Fe.Ni.O2/c3*1-2;;;1-2/h;2*1H;;;

InChIKey:

CIUCFLVMTAQNSJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(=O)[Fe](C=O)(C#N)O(=O)[Ni]
CACTVS 3.385	[Ni][O](=O)[Fe](C=O)(C=O)C#N
CACTVS 3.385	[Ni][O](=O)[Fe@](C=O)(C=O)C#N

Name:

NI-FE ACTIVE CENTER A-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).