BioLiP

PDB

BioLiP

PDB CCD ID:

CN1

Number of entries in BioLiP:

Chemical formula:

Fe3 H9 O12

InChI:

InChI=1S/3Fe.O2.9H2O.O/c;;;1-2;;;;;;;;;;/h;;;;9*1H2;/q2*+3;+4;-1;;;;;;;;;;/p-9

InChIKey:

SUDSRVCDIHGFGD-UHFFFAOYSA-E

SMILES:

Software	SMILES
CACTVS 3.385	O[Fe](O)O.O[Fe](O)(O)(O)O[Fe]1(O)(O)OO1
OpenEye OEToolkits 2.0.7	O[Fe](O)(O)[O@]1O[Fe]1(O)(O)O[Fe](O)(O)(O)O
OpenEye OEToolkits 2.0.7	O[Fe](O)(O)O1O[Fe]1(O)(O)O[Fe](O)(O)(O)O

Name:

OXO-IRON CLUSTER 2

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).