Structure of PDB 3dc4 Chain A Binding Site BS01

Receptor Information
>3dc4 Chain A (length=291) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKLSAVRIAVREAPYRPSVVQFPPWSDGKSLIVDQNEFHFDHAFPATISQ
DEMYQALILPLVDKLLEGFQCTALAYGQTGTGKSYSMGMTPPGEILPEHL
GILPRALGDIFERVTARQENNKDAIQVYASFIEIYNEKPFDLLGSTPHMP
MVAARCQRCTCLPLHSQADLHHILELGTRNRRSRSHAIVTIHVKSKTHHS
RMNIVDLAGSEGVVNINLGLLSINKVVMSMAAGHTVIPYRDSVLTTVLQA
SLTAQSYLTFLACISPHQCDLSETLSTLRFGTSAKAAALEH
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 chain3dc4 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3dc4 ATPase cycle of the nonmotile kinesin NOD allows microtubule end tracking and drives chromosome movement.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		P17 T89 G90 T91 G92 K93 S94 Y95
Binding residue
(residue number reindexed from 1)		P14 T79 G80 T81 G82 K83 S84 Y85
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003777 microtubule motor activity
GO:0005524 ATP binding
GO:0008017 microtubule binding
Biological Process
GO:0007018 microtubule-based movement

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3dc4, PDBe:3dc4, PDBj:3dc4
PDBsum3dc4
PubMed19135893
UniProtP18105|NOD_DROME Kinesin-like protein Nod (Gene Name=nod)

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