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BioLiP

PDB CCD ID: OC4
Number of entries in BioLiP: 0
Chemical formula: Ca H8 O4
InChI: InChI=1/Ca.4H2O/h;4*1H2/q+2;;;;/rCaH8O4/c2-1(3,4)5/h2-5H2/q+2
InChIKey: JREMHFSNYKJOBO-MRWHTQGUAJ
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0[OH2][Ca+2]([OH2])([OH2])[OH2]
CACTVS 3.341O|[Ca++](|O)(|O)|O
Name:CALCIUM ION, 4 WATERS COORDINATED
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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