Structure of PDB 3cnz Chain B Binding Site BS01

Receptor Information
>3cnz Chain B (length=331) Species: 4113 (Solanum tuberosum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KIRVYCRLRPLCEKEIIAKERNAVDEFTVEHLWKKQHMYDRVFDGNATQD
DVFEDTKYLVQSAVDGYNVCIFAYGQTGSGKTFTIYGADSNPGLTPRAMS
ELFRIMKKDSNKFSFSLKAYMVELYQDTLVDLLLPKQAKRLKLDIKKDSK
GMVSVENVTVVSISTYEELKTIIQRGSEQRHTLMNEQSSRSHLIVSVIIE
STNLQTQAIARGKLSFVDLAGSERVNKSLSALGDVISALSSGNQHIPYRN
HKLTMLMSDSLGGNAKTLMFVNISPAESNLDETHNSLTYASRVRSIVNDP
SKNVSSKEVARLKKLVSYWKEQAELEEIQDE
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 chain3cnz Chain B Residue 600 [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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PDB3cnz Structural dynamics of the microtubule binding and regulatory elements in the kinesin-like calmodulin binding protein.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		R897 G973 S974 G975 K976 T977 F978
Binding residue
(residue number reindexed from 1)		R9 G78 S79 G80 K81 T82 F83
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:3cnz, PDBe:3cnz, PDBj:3cnz
PDBsum3cnz
PubMed18513992
UniProtQ41460

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