Structure of PDB 6rke Chain I Binding Site BS05

Receptor Information
>6rke Chain I (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 IDLHW
InChIInChI=1S/10Mo.16H2O.19O/h;;;;;;;;;;16*1H2;;;;;;;;;;;;;;;;;;;/q4*+1;6*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1;+2/p-16
InChIKeyQLJDKXQFXYWLGK-UHFFFAOYSA-A
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7O[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 3.385O[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
FormulaH16 Mo10 O35
NameMO(10)-O(35) Cluster
ChEMBL
DrugBank
ZINC
PDB chain6rke Chain K Residue 304 [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)		E129 P131 Q136
Binding residue
(residue number reindexed from 1)		E125 P127 Q132
Annotation score4
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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