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BioLiP

PDB CCD ID: IHW
Number of entries in BioLiP: 5
Chemical formula: O58 W16
InChI: InChI=1S/20H2O.38O.16W/h20*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;13*+1;2*+2;+3/p-20
InChIKey: VFFFMWDLEIJLLW-UHFFFAOYSA-A
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7[O][W]123(O[W]456(O[W]789(O[W]%10%11(O7)(O[W]7%12%13(O[W]%14%15(O7)(O[W](O4)(O5)(O[W]45(O%14)(O[W]7(O6)(O8)(O4[W](O%10)(O%12)(O7)(O5)[O])[O])[O])(O[W]4(O1)(O2)(O[W]12(O%15)(O4[W]45(O[W]6(O3)(O9)(O[W](O%11)(O6)(O4)(O[W](O%13)(O5)(O1)(O2)[O])[O])[O])([O])([O])[O])([O])[O])[O])[O])[O])[O])[O])[O])[O])[O]
CACTVS 3.385O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[W]2O[W]345O[W]16(O[W]78O[W]9%10(O7)O[W]%11%12%13O[W]%14%15O[W]%16%17%18O[W](O8)(O%11)(O%12)O[W]%19(O6)(O%16)O[W]%20(O3)(O[W](O%14)(O%17)(O%18)O[W]%21%22(O[W]%23(O2)(O4)O[W](O%23)(O9)(O%10)O[W](O%15)(O%13)(O%21)O%22)O%20)O%19)O5
Name:tungstate cluster
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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