BioLiP

PDB

BioLiP

PDB CCD ID:

FSO

Number of entries in BioLiP:

Chemical formula:

Fe4 O3 S3

InChI:

InChI=1S/4Fe.3O.3S/q;;;;;;;;-1;+1

InChIKey:

JQPFOUXUGPAEOB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	O1[Fe]O[Fe]2(O[Fe]3[S+]2[Fe]1S3)[S-]
CACTVS 3.385	[S-][Fe@@]12O[Fe]O[Fe]3S[Fe](O1)[S@@+]23
OpenEye OEToolkits 2.0.7	O1[Fe]O[Fe]2(O[Fe]3[S@@+]2[Fe]1S3)[S-]
CACTVS 3.385	[S-][Fe]12O[Fe]O[Fe]3S[Fe](O1)[S+]23

Name:

IRON/SULFUR/OXYGEN 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).