Structure of PDB 6jkm Chain A Binding Site BS01

Receptor Information
>6jkm Chain A (length=334) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FNPFNVELISSLLESIDFSMYIEKLPHCQLVGHVKRLHPNTHLEVHNEKF
EVSKMIGKGAYGSVYVGKHLKSGKKVALKQERPTNYWEFYICLEIHSRLT
SEQMIPSYAHIDYALVGNNSSVYISEFSDYGSLIGVCNKVKSVTNRNMDE
YVVMHLSCQMLDIVDHLHAMGIIHADIKPDNFLLMKPICADPNEVSLQLI
DFGVSIDMKLFPDNQTFNYVHHDDLFKCIEMRTGRPWTYQLDLYGLVSVM
HVLLFGRYMEVVQRSPSTIWMPKTNVPRYFQRTMWENIFRTLLNIRDCRT
MPNLQQLRTQLKCALAEKEKYVAEAISKFNTILQ
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 chain6jkm Chain A Residue 1501 [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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PDB6jkm BubR1 phosphorylates CENP-E as a switch enabling the transition from lateral association to end-on capture of spindle microtubules.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		A1202 K1204 F1252 S1253 D1305 L1308 D1326
Binding residue
(residue number reindexed from 1)		A77 K79 F127 S128 D180 L183 D201
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation
GO:0007094 mitotic spindle assembly checkpoint signaling

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6jkm, PDBe:6jkm, PDBj:6jkm
PDBsum6jkm
PubMed31201382
UniProtA1Z6I7

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