BioLiP

PDB

BioLiP

PDB CCD ID:

BJ8

Number of entries in BioLiP:

Chemical formula:

Fe8 S9

InChI:

InChI=1S/8Fe.9S

InChIKey:

CSVVAMDLRWBOEA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	S1[Fe]S[Fe]1.S2[Fe]S[Fe]2.S3[Fe]S[Fe]3S[Fe]4S[Fe]S4
OpenEye OEToolkits 2.0.6	S([Fe]12[S]3[Fe]4[S]1[Fe]5[S]4[Fe]3[S]25)[Fe]67[S]8[Fe]9[S]6[Fe]1[S]9[Fe]8[S]71

Name:

Double cubane 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).