BioLiP

PDB

BioLiP

PDB CCD ID:

XCC

Number of entries in BioLiP:

Chemical formula:

Fe4 Ni S4

InChI:

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

InChIKey:

QGLWBXDZIHZONR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	[Fe]S[Fe]S[Fe]S[Fe]S[Ni]
OpenEye OEToolkits 2.0.7	S1[Fe]2[S]([Fe]3[S]2[Fe]1[S]3[Ni])[Fe]
OpenEye OEToolkits 2.0.7	S1[Fe]2[S@@]([Fe]3[S@@]2[Fe]1[S@]3[Ni])[Fe]

Name:

FE(4)-NI(1)-S(4) CLUSTER;
C 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).