Structure of PDB 5xja Chain A Binding Site BS01

Receptor Information
>5xja Chain A (length=337) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PNWEFARMIKEFRVTMECSPLTVTDPIEEHRICVCVRKRPLNKQELAKKE
IDVISVPSKCLLLVHEPKLKVDLTKYLENQAFCFDFAFDETASNEVVYRF
TARPLVQTIFEGGKATCFAYGQTGSGKTHTMGGDLQNASKGIYAMASRDV
FLLKNQPRYRNLNLEVYVTFFEIYNGKVFDLLNKKAKLRVLEDSRQQVQV
VGLQEYLVTCADDVIKMINMGSACRTSSRSHACFQILLRTKGRLHGKFSL
VDLAGNERGARQTRMEGAEINKSLLALKECIRALGQFRESKLTQVLRDSF
IGENSRTCMIAMISPGISSCEYTLNTLRYADRVKELS
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 chain5xja Chain A Residue 602 [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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PDB5xja Mechanism of Catalytic Microtubule Depolymerization via KIF2-Tubulin Transitional Conformation
Resolution3.43 Å
Binding residue
(original residue number in PDB)		R262 P263 T346 G347 G349 K350 T351 H352 L358
Binding residue
(residue number reindexed from 1)		R39 P40 T123 G124 G126 K127 T128 H129 L135
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:5xja, PDBe:5xja, PDBj:5xja
PDBsum5xja
PubMed28903043
UniProtQ922S8|KIF2C_MOUSE Kinesin-like protein KIF2C (Gene Name=Kif2c)

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