Structure of PDB 2zfk Chain A Binding Site BS01

Receptor Information
>2zfk Chain A (length=321) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VKVAVRVRPFNSREMSRDSKCIIQGSTTTIVNPKQPKETPKSFSFDYSYW
SHTSPEDINYASQKQVYRDIGEEMLQHAFEGYNVCIFAYGQTGAGKSYTM
MGKQEKDQQGIIPQLCEDLFSRINDTTNDNMSYSVEVSYMEIYCERVRDL
LNPKNKGNLRVREHPLLGPYVEDLSKLAVTSYNDIQDLMDSGNKPRTVNE
TSSRSHAVFNIIFTQKRHDAETNITTEKVSKISLVDLAGSEEGANINKSL
TTLGKVISALAEMDSGPDFIPYRDSVLTWLLRENLGGNSRTAMVAALSPA
DINYDETLSTLRYADRAKQIR
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 chain2zfk Chain A Residue 2000 [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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PDB2zfk Structural model for strain-dependent microtubule activation of Mg-ADP release from kinesin.
Resolution3.61 Å
Binding residue
(original residue number in PDB)		R13 S58 G100 A101 G102 K103 S104 Y105
Binding residue
(residue number reindexed from 1)		R8 S51 G93 A94 G95 K96 S97 Y98
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:2zfk, PDBe:2zfk, PDBj:2zfk
PDBsum2zfk
PubMed18806800
UniProtP33173|KIF1A_MOUSE Kinesin-like protein KIF1A (Gene Name=Kif1a)

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