Structure of PDB 6rkd Chain I Binding Site BS01

Receptor Information
>6rkd Chain I (length=271) Species: 322710 (Azotobacter vinelandii DJ) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NSIKHVISPLARQTLQDRDLTRPVAGKRPIRLLPWLQVVKIGGRVMDRGA
DAILPLVEELRKLLPEHRLLILTGAGVRARHVFSVGLDLGLPVGSLAPLA
ASEAGQNGHILAAMLASEGVSYVEHPTVADQLAIHLSATRAVVGSAFPPY
HHHEFPGSRIPPHRADTGAFLLADAFGAAGLTIVENVDGIYTADPNGPDR
GQARFLPETSATDLAKSEGPLPVDRALLDVMATARHIERVQVVNGLVPGR
LTAALRGEHVGTLIRTGVRPA
Ligand information
Ligand IDOMO
InChIInChI=1S/Mo.2H2O.O/h;2*1H2;/q+8;;;/p-2
InChIKeyGKDPEXRCAVYDOG-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2O[Mo+6](=O)O
CACTVS 3.370O[Mo+6](O)=O
ACDLabs 12.01O=[Mo+6](O)O
FormulaH2 Mo O3
NameMO(VI)(=O)(OH)2 CLUSTER
ChEMBL
DrugBankDB04494
ZINC
PDB chain6rkd Chain I Residue 301 [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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PDB6rkd Molybdate pumping into the molybdenum storage protein via an ATP-powered piercing mechanism.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		Q136 H140
Binding residue
(residue number reindexed from 1)		Q131 H135
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
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Cellular Component
External links
PDB RCSB:6rkd, PDBe:6rkd, PDBj:6rkd
PDBsum6rkd
PubMed31811022
UniProtP84308|MOSA_AZOVD Molybdenum storage protein subunit alpha (Gene Name=mosA)

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