Structure of PDB 5mvr Chain A Binding Site BS01

Receptor Information
>5mvr Chain A (length=148) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMVKQLKWRTVNPEETKAIAKLTAAFAKPGDVLTLEGDLGAGKTTFTKG
FAEGLGITRIVFTIIKEYNDGVLPLYHMDVYRMLGLDEYFHGQGVCLVEW
AHLIEEQLPQERLQIVIKRAGDDEREITFTAVGNRYEMLCEELSRHDN
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain5mvr Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5mvr Expanding the Kinome World: A New Protein Kinase Family Widely Conserved in Bacteria.
Resolution1.762 Å
Binding residue
(original residue number in PDB)		T8 N10 P11 T14 G38 G40 K41 T42 T43 R132
Binding residue
(residue number reindexed from 1)		T11 N13 P14 T17 G41 G43 K44 T45 T46 R125
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0046872 metal ion binding
Biological Process
GO:0002949 tRNA threonylcarbamoyladenosine modification
GO:0008033 tRNA processing
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5mvr, PDBe:5mvr, PDBj:5mvr
PDBsum5mvr
PubMed28890133
UniProtO05515|TSAE_BACSU tRNA threonylcarbamoyladenosine biosynthesis protein TsaE (Gene Name=tsaE)

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