Structure of PDB 3l1c Chain A Binding Site BS01

Receptor Information
>3l1c Chain A (length=355) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MHAALSTEVVHLRQRTEELLRCNEQQAAELETCKEQLFQSNMERKELHNT
VMDLRGNIRVFCRIRPPLESEENRMCCTWTYHDESTVELQSIDAGQQIFS
FDQVFHPLSSQSDIFEMVSPLIQSALDGYNICIFAYGQSGSGKTYTMDGV
PESVGVIPRTVDLLFDSIRGYRNLGWEYEIKATFLEIYNEVLYDLLSNEQ
KDMEIRMAKNNKNDIYVSNITEETVLDPNHLRHLMHTAKMNSRSHAVTKL
ELIGRHAEKQEISVGSINLVDLAGSESPKTSNINRSLSELTNVILALLQK
QDHIPYRNSKLTHLLMPSLGGNSKTLMFINVSPFQDCFQESVKSLRFAAS
VNSCK
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 chain3l1c 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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PDB3l1c A kinesin motor in a force-producing conformation.
Resolution2.75 Å
Binding residue
(original residue number in PDB)		R354 R356 P357 G437 S438 G439 K440 T441 Y442
Binding residue
(residue number reindexed from 1)		R63 R65 P66 G140 S141 G142 K143 T144 Y145
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:3l1c, PDBe:3l1c, PDBj:3l1c
PDBsum3l1c
PubMed20602775
UniProtP20480|NCD_DROME Protein claret segregational (Gene Name=ncd)

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