BioLiP

PDB

BioLiP

PDB CCD ID:

MO2

Number of entries in BioLiP:

Chemical formula:

H4 Mg O2

InChI:

InChI=1/Mg.2H2O/h;2*1H2/q+2;;/rH4MgO2/c2-1-3/h2-3H2/q+2

InChIKey:

VTHJTEIRLNZDEV-MJBCJLLMAL

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	[OH2][Mg+2][OH2]
CACTVS 3.341	O\|[Mg++]\|O

Name:

MAGNESIUM 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).