BioLiP

PDB

BioLiP

PDB CCD ID:

Q46

Number of entries in BioLiP:

Chemical formula:

Fe4 H S5

InChI:

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

InChIKey:

IBBAXWHZAAYJDG-UHFFFAOYSA-M

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	S[Fe]12[S+]3[Fe]4[S+]1[Fe]5[S+]4[Fe]3[S+]25
CACTVS 3.385	S[Fe]12[S+]3[Fe]4[S+]5[Fe]3[S+]1[Fe]5[S+]24

Name:

Fe4 H S5

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).