BioLiP

PDB

BioLiP

PDB CCD ID:

GWN

Number of entries in BioLiP:

Chemical formula:

H15 Mo8 O28

InChI:

InChI=1S/8Mo.15H2O.13O/h;;;;;;;;15*1H2;;;;;;;;;;;;;/q3*+1;3*+2;2*+3;;;;;;;;;;;;;;;;;;;;;;7*+1/p-15

InChIKey:

IZBWZCCEFXYSQI-UHFFFAOYSA-A

SMILES:

Software	SMILES
CACTVS 3.385	O[Mo]12(O)(O)O[Mo]34(O)(O)O[Mo]567(O)O[Mo]89(O)(O)O[Mo]%10(O)(O)(O)[O+]8[Mo]%11%12(O)(O[Mo]%13(O)(O)([O+]1[Mo](O)(O5)([O+]23)([O+]46)[O+]%11%13)[O+]%10%12)[O+]79
OpenEye OEToolkits 2.0.7	O[Mo]12(O[Mo]34([O+]1[Mo]567([O+]2[Mo]8(O5)([O+]6[Mo]912([O+]8[Mo]5([O+]9[Mo]6(O5)([O+]1[Mo]([O+]73)(O4)(O6)(O2)O)(O)O)(O)(O)O)O)(O)O)O)(O)O)(O)O

Name:

Mo8 cluster

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).