SEQ2FUN

BioLiP

PDB CCD ID: OC3
Number of entries in BioLiP: 0
Chemical formula: Ca H6 O3
InChI: InChI=1/Ca.3H2O/h;3*1H2/q+2;;;/rCaH6O3/c2-1(3)4/h2-4H2/q+2
InChIKey: CQVAWTWGTHPABZ-QKWZHWDEAH
SMILES:
SoftwareSMILES
CACTVS 3.341O|[Ca++](|O)|O
OpenEye OEToolkits 1.5.0[OH2][Ca+2]([OH2])[OH2]
Name:CALCIUM ION, 3 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).