BioLiP

PDB

BioLiP

PDB CCD ID:

FSX

Number of entries in BioLiP:

Chemical formula:

Fe4 O3 S3

InChI:

InChI=1S/4Fe.H2O.2O.3S/h;;;;1H2;;;;;/q;;;+1;;;;;;/p-1

InChIKey:

BIOGFUMNBIDAOG-UHFFFAOYSA-M

SMILES:

Software	SMILES
CACTVS 3.385	O.O1[Fe]O[Fe]2S[Fe]S[Fe]1S2
OpenEye OEToolkits 2.0.7	[O][Fe]1O[Fe]23S[Fe]245[S]3[Fe]4(O1)S5

Name:

BIS-(MU-2-OXO),[(MU-3--SULFIDO)-BIS(MU-2--SULFIDO)-TRIS(CYS-S)-TRI-IRON] (AQUA)(GLU-O)IRON(II);
FE4-S3-O3 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).