BioLiP

PDB

BioLiP

PDB CCD ID:

VQ8

Number of entries in BioLiP:

Chemical formula:

Fe4 O3 S2

InChI:

InChI=1S/4Fe.3O.2S

InChIKey:

DEAINXNPDRNZAH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	O1[Fe]O[Fe]2S[Fe]3[S]2[Fe]1O3
CACTVS 3.385	O1[Fe]O[Fe]2O[Fe](S[Fe]1)S2

Name:

hybrid 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).