BioLiP

PDB

BioLiP

PDB CCD ID:

NFS

Number of entries in BioLiP:

Chemical formula:

Fe4 Ni S5

InChI:

InChI=1S/4Fe.Ni.5S

InChIKey:

DHBVHUGSWMHFLY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	S1[Fe][S]2[Fe]3[S]4[Fe]2[S]5[Fe]4[S]3[Ni]51
CACTVS 3.385	[Ni]S[Fe]S[Fe]1S[Fe]S[Fe]S1
OpenEye OEToolkits 2.0.7	S1[Fe][S]2[Fe]3[S@@]4[Ni]1[S@]5[Fe]4[S]3[Fe]52

Name:

FE(4)-NI(1)-S(5) CLUSTER

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).