BioLiP

PDB

BioLiP

PDB CCD ID:

3OF

Number of entries in BioLiP:

Chemical formula:

Fe H4 O2

InChI:

InChI=1/Fe.2H2O/h;2*1H2/q+3;;/rFeH4O2/c2-1-3/h2-3H2/q+3

InChIKey:

SZDOSDXWAOBQFH-SWXSXKEPAZ

SMILES:

Software	SMILES
CACTVS 3.341	O\|[Fe+3]\|O
OpenEye OEToolkits 1.5.0	[OH2][Fe+3][OH2]

Name:

HYDRATED FE (III) ION, 2 WATERS COORDINATED

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).