Structure of PDB 6rke Chain B Binding Site BS02

Receptor Information
>6rke Chain B (length=268) Species: 322710 (Azotobacter vinelandii DJ) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NSTAELEELLMQRSLTDPQLQAAAAAAADFRILPDATVIKIGGQSVIDRG
RAAVYPLVDEIVAARKNHKLLIGTGAGTRARHLYSIAAGLGLPAGVLAQL
GSSVADQNAAMLGQLLAKHGIPVVGGAGLSAVPLSLAEVNAVVFSGMPPY
KLWMRPAAEGVIPPYRTDAGCFLLAEQFGCKQMIFVKDEDGLYTANPKTS
KDATFIPRISVDEMKAKGLHDSILEFPVLDLLQSAQHVREVQVVNGLVPG
NLTRALAGEHVGTIITAS
Ligand information
Ligand ID8M0
InChIInChI=1S/8Mo.28O/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;8*-1
InChIKeyGSOSAILZTJNYOK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6[O-][Mo]12(=O)(=O)O[Mo]34(=O)(O1[Mo]567(O2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)(O2[Mo]11(O36[Mo](=O)(O51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-]
CACTVS 3.385[O-][Mo]|123(=O)O[Mo]|45([O-])(=O)O[Mo]678([O-])O|1[Mo]([O-])(=O)(=O)(O2)|O6[Mo]9%10([O-])(=O)O[Mo]%11%12([O-])(O|4[Mo]|%13([O-])(=O)(=O)O[Mo]([O-])(=O)(O%11|%13)(O9)[O]7%10%12)[O]358
OpenEye OEToolkits 1.7.6[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-]
FormulaMo8 O28
Namebis(mu4-oxo)-tetrakis(mu3-oxo)-hexakis(mu2-oxo)-hexadecaoxo-octamolybdenum (VI);
Octamolybdate [Mo(VI)8O28]8-
ChEMBL
DrugBank
ZINC
PDB chain6rke Chain B Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6rke Molybdate pumping into the molybdenum storage protein via an ATP-powered piercing mechanism.
Resolution1.7 Å
Binding residue
(original residue number in PDB)
G127 G128 A129 F146 P151 L176 F180
Binding residue
(residue number reindexed from 1)
G125 G126 A127 F144 P149 L174 F178
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030151 molybdenum ion binding
GO:0045735 nutrient reservoir activity
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function

View graph for
Cellular Component
External links
PDB RCSB:6rke, PDBe:6rke, PDBj:6rke
PDBsum6rke
PubMed31811022
UniProtP84253|MOSB_AZOVD Molybdenum storage protein subunit beta (Gene Name=mosB)

[Back to BioLiP]