BioLiP

PDB

BioLiP

PDB CCD ID:

OF3

Number of entries in BioLiP:

Chemical formula:

Fe H2 O

InChI:

InChI=1/Fe.H2O/h;1H2/q+3;/rFeH2O/c1-2/h2H2/q+3

InChIKey:

NJWYTAHMQKIIQQ-HKNNVPFLAS

SMILES:

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

Name:

FERRIC ION, 1 WATER 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).