Structure of PDB 3cob Chain A Binding Site BS01

Receptor Information
>3cob Chain A (length=355) Species: 4113 (Solanum tuberosum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KGKIRVYCRLRPLCEKEIIAKERNAIRSVDEFTVEHLWKDDKAKQHMYDR
VFDGNATQDDVFEDTKYLVQSAVDGYNVCIFAYGQTGSGKTFTIYGADSN
PGLTPRAMSELFRIMKKDSNKFSFSLKAYMVELYQDTLVDLLLPKQAKRL
KLDIKKDSKGMVSVENVTVVSISTYEELKTIIQRGSEQRHTTGTLMNEQS
SRSHLIVSVIIESTNLQTQAIARGKLSFVDLAGSERVKKSGSAGNQLKEA
QSINKSLSALGDVISALSSGNQHIPYRNHKLTMLMSDSLGGNAKTLMFVN
ISPAESNLDETHNSLTYASRVRSIVNDPSKNVSSKEVARLKKLVSYWELE
EIQDE
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 chain3cob Chain A 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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PDB3cob Structural dynamics of the microtubule binding and regulatory elements in the kinesin-like calmodulin binding protein.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		R897 T972 G973 G975 K976 T977 F978
Binding residue
(residue number reindexed from 1)		R11 T86 G87 G89 K90 T91 F92
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:3cob, PDBe:3cob, PDBj:3cob
PDBsum3cob
PubMed18513992
UniProtQ41460

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