BioLiP

PDB

BioLiP

PDB CCD ID:

8JU

Number of entries in BioLiP:

Chemical formula:

Fe4 O S4

InChI:

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

InChIKey:

RAQKYMZLKKCSFU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	O1[Fe]S[Fe]2S[Fe]3[S]2[Fe]1S3
CACTVS 3.385	O1[Fe]S[Fe]2S[Fe](S[Fe]1)S2

Name:

FE4-S4-O 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).