Structure of PDB 5jju Chain B Binding Site BS02

Receptor Information
>5jju Chain B (length=325) Species: 419947 (Mycobacterium tuberculosis H37Ra) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GARVDAVGAAALLSAAARVGVVCHVHPDADTIGAGLALALVLDGCGKRVE
VSFAAPATLPESLRSLPGCHLLVRPEVMRRDVDLVVTVDIPSVDRLGALG
DLTDSGRELLVIDHHASNDLFGTANFIDPSADSTTTMVAEILDAWGKPID
PRVAHCIYAGLATDTGSFRWASVRGYRLAARLVEIGVDNATVSRTLMDSH
PFTWLPLLSRVLGSAQLVSEAVGGRGLVYVVVDNREWVAARSEEVESIVD
IVRTTQQAEVAAVFKEVEPHRWSVSMRAKTVNLAAVASGFGGGGHRLAAG
YTTTGSIDDAVASLRAALGLTRAPP
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain5jju Chain B Residue 1002 [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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PDB5jju Structural and biochemical insight into the mechanism of Rv2837c from Mycobacterium tuberculosis as a c-di-NMP phosphodiesterase
Resolution2.312 Å
Binding residue
(original residue number in PDB)		H41 D45 D106
Binding residue
(residue number reindexed from 1)		H24 D28 D89
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003676 nucleic acid binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5jju, PDBe:5jju, PDBj:5jju
PDBsum5jju
PubMed27371563
UniProtA5U6I9

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