Structure of PDB 5o5w Chain A Binding Site BS03

Receptor Information
>5o5w Chain A (length=244) Species: 322710 (Azotobacter vinelandii DJ) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPIRLLPWLQVVKIGGRVMDRGADAILPLVEELRKLLPEHRLLILTGAGV
RARHVFSVGLDLGLPVGSLAPLAASEAGQNGHILAAMLASEGVSYVEHPT
VADQLAIHLSATRAVVGSAFPPYHHHEFPGSRIPPHRADTGAFLLADAFG
AAGLTIVENVDGIYTADPNGPDRGQARFLPETSATDLAKSEGPLPVDRAL
LDVMATARHIERVQVVNGLVPGRLTAALRGEHVGTLIRTGVRPA
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 chain5o5w Chain A 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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PDB5o5w Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Resolution1.7 Å
Binding residue
(original residue number in PDB)
A106 S107 G110 Q111 H114 Y127 E129 H130 P131 S150 P154 H156
Binding residue
(residue number reindexed from 1)
A74 S75 G78 Q79 H82 Y95 E97 H98 P99 S118 P122 H124
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:5o5w, PDBe:5o5w, PDBj:5o5w
PDBsum5o5w
PubMed28912485
UniProtP84308|MOSA_AZOVD Molybdenum storage protein subunit alpha (Gene Name=mosA)

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