BioLiP

PDB

BioLiP

PDB CCD ID:

NFE

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(=O)=[Fe](=C=O)(SO)S[Ni]
CACTVS 3.341	OS[Fe](S[Ni])(=C=O)=C=O
CACTVS 3.341	OS[Fe@](S[Ni])(=C=O)=C=O

Name:

NI-FE 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).