BioLiP

PDB

BioLiP

PDB CCD ID:

FS5

Number of entries in BioLiP:

Chemical formula:

Fe8 S13

InChI:

InChI=1S/8Fe.H2S5.8S/c;;;;;;;;1-3-5-4-2;;;;;;;;/h;;;;;;;;1-2H;;;;;;;;/q;;;;;;2*+1;;;;;;;;;/p-2

InChIKey:

FDJYKHODDMRQJF-UHFFFAOYSA-L

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	S(SS[Fe]12[S]3[Fe]4[S]1[Fe]5[S]4[Fe]3[S]25)SS[Fe]67[S]8[Fe]9[S]6[Fe]1[S]9[Fe]8[S]71
CACTVS 3.370	S(SS[Fe]12\|S3[Fe]\|4S5\|[Fe]3S1\|[Fe]5S2\|4)SS[Fe]67\|S8[Fe]\|9S\|%10[Fe](S6\|9)\|S7[Fe]8\|%10

Name:

IRON/SULFUR PENTA-SULFIDE CONNECTED CLUSTERS;
PENTASULFIDE-LINKED IRON CUBANES

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).