Structure of PDB 5hle Chain A Binding Site BS01

Receptor Information
>5hle Chain A (length=303) Species: 7227,10116 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NTVMDLRGNIKVMCRFRPLNEAEILRGDKFIPKFKGEETVVIQGKPYVFD
RVLPPNTTQEQVYNACAKQIVKDVLEGYNGTIFAYGQTSSGKTHTMEGKL
HDPQLMGIIPRIAHDIFDHIYSMDENLEFAIKVSYFEIYLDKIRDLLDVS
KTNLAVHEDKNRVPYVKGCTERFVSSPEEVMDVIDEGKSNRHVAEHSSRS
HSIFLINIKQENVETEKKLSGKLYLVDLAGSEKVKNINKSLSALGNVISA
LAEGTTHVPYRDSKMTRILQDSLGGNCRTTIVICCSPSVFNEAETKSTLM
FAA
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 chain5hle Chain A Residue 401 [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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PDB5hle Backwards motion in kinesin-14 requires neck-mimic to control a neck-helix swing.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		R32 P33 S104 S105 G106 K107 T108 H109
Binding residue
(residue number reindexed from 1)		R17 P18 S89 S90 G91 K92 T93 H94
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:5hle, PDBe:5hle, PDBj:5hle
PDBsum5hle
PubMed
UniProtP20480|NCD_DROME Protein claret segregational (Gene Name=ncd);
P56536|KIF5C_RAT Kinesin heavy chain isoform 5C (Gene Name=Kif5c)

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