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BioLiP

PDB CCD ID: KCO
Number of entries in BioLiP: 2
Chemical formula: Co O38 Si W11
InChI: InChI=1S/Co.O4Si.34O.11W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKey: IDVQAOCIYXNSCW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=[W]123O[W]456(=O)O[Co]78O[W]9%10%11(=O)O[W]%12%13(=O)(O7)O[W]%14%15(=O)(O4)O[W]%16%17(=O)(O5)O[W]%18%19(=O)(O1)O[W]%20(=O)(O2)(O9)O[W]%21%22(=O)(O%18)O[W]%23(=O)(O%10)(O%12)O[W](=O)(O%14)(O%16)(O%21)[O]%22%23[Si]([O]8%11%13)([O]3%19%20)[O]6%15%17
CACTVS 3.385O=[W]123O[W]456(=O)O[Co@@]78O[W]9%10%11(=O)O[W]%12%13(=O)(O7)O[W]%14%15(=O)(O4)O[W]%16%17(=O)(O5)O[W]%18%19(=O)(O1)O[W]%20(=O)(O2)(O9)O[W]%21%22(=O)(O%18)O[W]%23(=O)(O%10)(O%12)O[W](=O)(O%14)(O%16)(O%21)[O]%22%23[Si@@]([O]8%11%13)([O]3%19%20)[O]6%15%17
OpenEye OEToolkits 2.0.7O=[W]123O[W]456(=O)O[Co]78O[W]9%10%11(=O)O77[Si@]%12%13O11[W]%14(=O)(O2)(O9)O[W]11(=O)(O3)O[W]23(=O)(O4%12[W]4(=O)(O5)(O2)O[W]7(=O)(O8)(O%10)O[W]25(=O)(O%11)O%137[W](=O)(O%14)(O1)(O2)O[W]7(=O)(O4)(O3)O5)O6
OpenEye OEToolkits 2.0.7O=[W]123O[W]456(=O)O[Co]78O[W]9%10%11(=O)O77[Si]%12%13O11[W]%14(=O)(O2)(O9)O[W]11(=O)(O3)O[W]23(=O)(O4%12[W]4(=O)(O5)(O2)O[W]7(=O)(O8)(O%10)O[W]25(=O)(O%11)O%137[W](=O)(O%14)(O1)(O2)O[W]7(=O)(O4)(O3)O5)O6
Name: Co-substituted beta-Keggin
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)(download the PDF file).
  • 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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