Structure of PDB 4bvp Chain B Binding Site BS04

Receptor Information
>4bvp Chain B (length=365) Species: 446 (Legionella pneumophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPCEKHSCIAVIDAGSTGSRLHIYSYDTDDTNTPIHIEEIWNKKIKPGFA
SIQPNSVTIDAYLTMLLADAPIHNIPVYFYATAGMRLLPQSQQKKYYDEL
DYWFRQQSQWQLVEAKTITGNDEALFDWLAVNYKLDTLKSVQNKSVGVMD
MGGASVQIVFPMPKNAEISKHNQVELNIYGQNINLYVHSFLGLGQTEMSH
QFLNSPSCFANDYPLPDGESGQGNAPSCKEEVTSLMNSVHKVNQQIQPLL
ALNPVNEWYSIGGISNLASSQLFHFENSELTNQSLLQQGDNQICHQQWDI
LNGQYPDDEYLYQYCLLSSYYYALMVDGYGINPNQTIHYIPPEQNLDWTI
GVVLHRALEHHHHHH
Ligand information
Ligand IDM27
InChIInChI=1S/2Mo.10O/q;;;;8*-1
InChIKeyOMHJAEGSJTZMPB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6[O-][Mo]1(O[Mo](O1)([O-])([O-])([O-])[O-])([O-])([O-])[O-]
CACTVS 3.385[O-][Mo]1([O-])([O-])([O-])O[Mo]([O-])([O-])([O-])([O-])O1
FormulaMo2 O10
Namebis(mu2-oxo)-octaoxo-dimolybdenum (VI);
dimolybdate [Mo(VI)2O10]8-
ChEMBL
DrugBank
ZINC
PDB chain4bvp Chain B Residue 1409 [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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PDB4bvp Structures of Legionella Pneumophila Ntpdase1 in Complex with Polyoxometallates.
Resolution1.49 Å
Binding residue
(original residue number in PDB)		Q307 Y341 D343 D344
Binding residue
(residue number reindexed from 1)		Q271 Y305 D307 D308
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4bvp, PDBe:4bvp, PDBj:4bvp
PDBsum4bvp
PubMed24699658
UniProtQ5ZUA2

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