SEQ2FUN

BioLiP

PDB CCD ID: OC1
Number of entries in BioLiP: 0
Chemical formula: Ca H2 O
InChI: InChI=1/Ca.H2O/h;1H2/q+2;/rCaH2O/c1-2/h2H2/q+2
InChIKey: ZLYHCTAZFNBBLQ-YKZZLKGYAU
SMILES:
SoftwareSMILES
CACTVS 3.341O|[Ca++]
OpenEye OEToolkits 1.5.0[OH2][Ca+2]
Name:CALCIUM 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).