BioLiP

PDB

BioLiP

PDB CCD ID:

HC1

Number of entries in BioLiP:

Chemical formula:

C5 H8 Fe2 O7 S2

InChI:

InChI=1S/4CHO.CO.2Fe.2H2O.2S/c5*1-2;;;;;;/h4*1H;;;;2*1H2;;

InChIKey:

DXKOXSKJHMBSFW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O.O.O=C[Fe]12(S[Fe](S1)(C=O)(C=O)C2=O)C=O
OpenEye OEToolkits 2.0.7	C(=O)[Fe]123(C(=O)[Fe]1(S2)(S3)(C=O)(C=O)[OH2])(C=O)[OH2]

Name:

2 IRON/2 SULFUR/5 CARBONYL/2 WATER INORGANIC 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).