BioLiP

PDB

BioLiP

PDB CCD ID:

WCC

Number of entries in BioLiP:

Chemical formula:

Fe3 Ni S4

InChI:

InChI=1S/3Fe.Ni.4S

InChIKey:

SEEZYPKDPRYISB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	S1[Fe]S[Fe]1.S2[Fe]S[Ni]2
OpenEye OEToolkits 2.0.7	[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ni]45

Name:

FE(3)-NI(1)-S(4) CLUSTER;
C CLUSTER CUBANE

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).