Structure of PDB 3u06 Chain A Binding Site BS01

Receptor Information
>3u06 Chain A (length=359) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MHAALSTEVVHLRQRTEELLRCNEQQAAELETCKEQLFQSNMERKELHNT
VMDLRDNIRVFCRIRPPLESEENRMCCTWTYHDESTVELQSIDGQQIFSF
DQVFHPLSSQSDIFEMVSPLIQSALDGYNICIFAYGQTGSGKTYTMDGVP
ESVGVIPRTVDLLFDSIRGYRNLGWEYEIKATFLEIYNEVLYDLLSNEQK
DMEIRMAKNNKNDIYVSNITEETVLDPNHLRHLMHTAKMNRAGNERSSRS
HAVTKLELIGRHAEKQEISVGSINLVDLAGSESKNINRSLSELTNVILAL
LQKQDHIPYRNSKLTHLLMPSLGGNSKTLMFINVSPFQDCFQESVKSLRF
AASVNSCKM
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 chain3u06 Chain A Residue 1 [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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PDB3u06 Neck-motor interactions trigger rotation of the kinesin stalk.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		R354 R356 P357 T436 G437 S438 G439 K440 T441 Y442
Binding residue
(residue number reindexed from 1)		R63 R65 P66 T138 G139 S140 G141 K142 T143 Y144
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.-
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:3u06, PDBe:3u06, PDBj:3u06
PDBsum3u06
PubMed22355749
UniProtP20480|NCD_DROME Protein claret segregational (Gene Name=ncd)

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