BioLiP

PDB

BioLiP

PDB CCD ID:

T2N

Number of entries in BioLiP:

Chemical formula:

Fe4 O2 S2

InChI:

InChI=1S/4Fe.2O.2S/q;;;;;;;+1

InChIKey:

ZZXANUDJVNRRAL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	O1[Fe]O[Fe]2S[Fe][S+]2[Fe]1
CACTVS 3.385	O1[Fe]O[Fe]2S[Fe][S@+]2[Fe]1

Name:

3,5-dioxa-7-thia-1-thionia-2$l^{2},4$l^{2},6$l^{3},8$l^{2}-tetraferrabicyclo[4.2.0]octane

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).