Structure of PDB 1n6m Chain A Binding Site BS01

Receptor Information
>1n6m Chain A (length=362) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MHAALSTEVVHLRQRTEELLRCNEQQAAELETCKEQLFQSNMERKELHNT
VMDLRGNIRVFCRIRPPLESEENRMCCTWTYHDESTVELQSIDAQMGQQI
FSFDQVFHPLSSQSDIFEMVSPLIQSALDGYNICIFAYGQTGSGKTYTMD
GVPESVGVIPRTVDLLFDSIRGYRNLGWEYEIKATFLEIYNEVLYDLLSN
EQKDMEIRMAKNNKNDIYVSNITEETVLDPNHLRHLMHTAKMNRASSRSH
AVTKLELIGRHAEKQEISVGSINLVDLAGSESPKTETKNIKRSLSELTNV
ILALLQKQDHIPYRNSKLTHLLMPSLGGNSKTLMFINVSPFQDCFQESVK
SLRFAASVNSCK
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 chain1n6m Chain A Residue 998 [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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PDB1n6m Rotation of the stalk/neck and one head in a new crystal structure of the kinesin motor protein, Ncd
Resolution2.5 Å
Binding residue
(original residue number in PDB)		R356 P357 T436 G437 S438 G439 K440 T441 Y442
Binding residue
(residue number reindexed from 1)		R65 P66 T141 G142 S143 G144 K145 T146 Y147
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:1n6m, PDBe:1n6m, PDBj:1n6m
PDBsum1n6m
PubMed14532111
UniProtP20480|NCD_DROME Protein claret segregational (Gene Name=ncd)

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