Structure of PDB 6h8b Chain A Binding Site BS04

Receptor Information
>6h8b Chain A (length=245) Species: 354 (Azotobacter vinelandii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KRPIRLLPWLQVVKIGGRVMDRGADAILPLVEELRKLLPEHRLLILTGAG
VRARHVFSVGLDLGLPVGSLAPLAASEAGQNGHILAAMLASEGVSYVEHP
TVADQLAIHLSATRAVVGSAFPPYHHHEFPGSRIPPHRADTGAFLLADAF
GAAGLTIVENVDGIYTADPNGPDRGQARFLPETSATDLAKSEGPLPVDRA
LLDVMATARHIERVQVVNGLVPGRLTAALRGEHVGTLIRTGVRPA
Ligand information
Ligand IDJ8B
InChIInChI=1S/8Mo.14H2O.12O/h;;;;;;;;14*1H2;;;;;;;;;;;;/q2*+1;6*+2;;;;;;;;;;;;;;;;;;;;;;;;;;/p-14
InChIKeyVDJFCWAFEZEUOL-UHFFFAOYSA-A
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[O][Mo]12(O[Mo]34(O1[Mo]56(O2[Mo]78(O59[Mo]1(O7)(O[Mo]2(O1[Mo]91(O8)(O2[Mo](O13)(O6)(O4)([O])[O])[O])([O])[O])([O])[O])([O])[O])[O])([O])[O])[O]
CACTVS 3.385O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Mo]O[Mo]12O[Mo]34O[Mo]5O[Mo]6O[Mo]7(O6)O[Mo](O5)[O]13[Mo](O7)(O2)O4
FormulaMo8 O26
NameMolybdate cluster
ChEMBL
DrugBank
ZINC
PDB chain6h8b Chain A 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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PDB6h8b The molybdenum storage protein - A bionanolab for creating experimentally alterable polyoxomolybdate clusters.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		A106 S107 G110 H114 Y127 E129 H130 S150 H156
Binding residue
(residue number reindexed from 1)		A75 S76 G79 H83 Y96 E98 H99 S119 H125
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:6h8b, PDBe:6h8b, PDBj:6h8b
PDBsum6h8b
PubMed30278367
UniProtP84308|MOSA_AZOVD Molybdenum storage protein subunit alpha (Gene Name=mosA)

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