BioLiP

PDB

BioLiP

PDB CCD ID:

LHW

Number of entries in BioLiP:

Chemical formula:

H16 Mo10 O35

InChI:

InChI=1S/10Mo.16H2O.19O/h;;;;;;;;;;16*1H2;;;;;;;;;;;;;;;;;;;/q4*+1;6*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1;+2/p-16

InChIKey:

QLJDKXQFXYWLGK-UHFFFAOYSA-A

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	O[Mo]123[O+]4[Mo]56(O[Mo]47(O[Mo]89([O+]1[Mo]1(O8)(O[Mo]48([O+]2[Mo](O4)(O5)(O[Mo]24(O6)([O+2]33[Mo](O7)(O9)(O2)(O[Mo]3(O8)(O1)(O4)O)O)O)(O)O)(O)O)(O)O)(O)O)(O)O)(O)O
CACTVS 3.385	O[Mo]123[O+]4[Mo]56(O)(O)O[Mo]47(O)(O)O[Mo]89(O)(O)O[Mo]%10(O)(O)(O[Mo]%11%12(O)(O)O[Mo](O)(O)(O5)(O[Mo]%13%14(O)(O6)O[Mo]%15(O)(O7)(O8)O[Mo](O)(O%11)(O%10)(O%13)[O++]1%14%15)[O+]2%12)[O+]39

Name:

MO(10)-O(35) 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).