Structure of PDB 6rke Chain G Binding Site BS04

Receptor Information
>6rke Chain G (length=272) Species: 322710 (Azotobacter vinelandii DJ) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TNSIKHVISPLARQTLQDRDLTRPVAGKRPIRLLPWLQVVKIGGRVMDRG
ADAILPLVEELRKLLPEHRLLILTGAGVRARHVFSVGLDLGLPVGSLAPL
AASEAGQNGHILAAMLASEGVSYVEHPTVADQLAIHLSATRAVVGSAFPP
YHHHEFPGSRIPPHRADTGAFLLADAFGAAGLTIVENVDGIYTADPNGPD
RGQARFLPETSATDLAKSEGPLPVDRALLDVMATARHIERVQVVNGLVPG
RLTAALRGEHVGTLIRTGVRPA
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 G Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6rke Molybdate pumping into the molybdenum storage protein via an ATP-powered piercing mechanism.
Resolution1.7 Å
Binding residue
(original residue number in PDB)
P103 A106 S107 G110 Q111 H114 Y127 E129 H130 P131 S150 P154 H156
Binding residue
(residue number reindexed from 1)
P99 A102 S103 G106 Q107 H110 Y123 E125 H126 P127 S146 P150 H152
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
UniProtP84308|MOSA_AZOVD Molybdenum storage protein subunit alpha (Gene Name=mosA)

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