BioLiP

PDB

BioLiP

PDB CCD ID:

GUH

Number of entries in BioLiP:

Chemical formula:

H20 Mo6 O26

InChI:

InChI=1S/6Mo.20H2O.6O/h;;;;;;20*1H2;;;;;;/q+1;+3;4*+4;;;;;;;;;;;;;;;;;;;;;;5*+1/p-20

InChIKey:

BRWUKIRZWYQFIE-UHFFFAOYSA-A

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	O[Mo]1([O+]2[Mo]([O+]3[Mo]245([O+]1[Mo]([O+]4[Mo]6([O+]5[Mo]3(O6)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)O)(O)(O)(O)O)(O)(O)O
CACTVS 3.385	O[Mo]1(O)(O)(O)[O+]2[Mo](O)(O)(O)(O)[O+]3[Mo]4(O)(O)(O)O[Mo]5(O)(O)(O)(O)[O+]6[Mo](O)(O)(O)(O)[O+]1[Mo]236(O)[O+]45

Name:

Mo6 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).