SEQ2FUN

BioLiP

PDB CCD ID: OC6
Number of entries in BioLiP: 0
Chemical formula: Ca H12 O6
InChI: InChI=1/Ca.6H2O/h;6*1H2/q+2;;;;;;/rCaH12O6/c2-1(3,4,5,6)7/h2-7H2/q+2
InChIKey: GXTAVUFVWOVBHJ-MFBRWFRNAS
SMILES:
SoftwareSMILES
CACTVS 3.341O|[Ca++](|O)(|O)(|O)(|O)|O
OpenEye OEToolkits 1.5.0[OH2][Ca+2]([OH2])([OH2])([OH2])([OH2])[OH2]
Name:CALCIUM ION, 6 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).