BioLiP

PDB

BioLiP

PDB CCD ID:

FS4

Number of entries in BioLiP:

Chemical formula:

Fe4 S4

InChI:

InChI=1/4Fe.4S/rFe4S4/c5-1-2(5)3(1,5)4(1,2,6(1)2,7(1)3)8(2)3

InChIKey:

LJBDFODJNLIPKO-OPQUVCQLAW

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	[S]12[Fe]3456[Fe]1789[Fe]2312[Fe]47([S]58)([S]61)[S]92
CACTVS 3.341	[Fe]1\|2\|3\|4\|5\|[Fe]\|6\|78\|9\|S1[Fe]\|%10%11\|2\|6S\|3[Fe]\|4\|7\|%10(S\|58)S\|9%11

Name:

IRON/SULFUR 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).