BioLiP

PDB

BioLiP

PDB CCD ID:

6ML

Number of entries in BioLiP:

Chemical formula:

Fe4 O2 S4

InChI:

InChI=1S/4Fe.2O.H2S.3S/h;;;;;;1H2;;;/q;;;+1;;;;;;/p-1

InChIKey:

DCVJTSMMUVGUAG-UHFFFAOYSA-M

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.5	O1[Fe](O[Fe]2S[Fe]3[S]2[Fe]1S3)[S]
CACTVS 3.385	S.O1[Fe]O[Fe]2S[Fe](S[Fe]1)S2

Name:

oxygen-damaged SF4

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).