Structure of PDB 1sdm Chain A Binding Site BS01
Receptor Information
>1sdm Chain A (length=344) Species:
4113
(Solanum tuberosum) [
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KIRVYCRLRPLCEKEIIAKERNAIRSVDEFTVEHLWKDDKAKQHMYDRVF
DGNATQDDVFEDTKYLVQSAVDGYNVCIFAYGQTGSGKTFTIYGADSNPG
LTPRAMSELFRIMKKDSNKFSFSLKAYMVELYQDTLVDLLLPKQAKRLKL
DIKKDSKGMVSVENVTVVSISTYEELKTIIQRGSEQRHTTGTLMNEQSSR
SHLIVSVIIESTNLQTQAIARGKLSFVDLAGSERVKKEAQSINKSLSALG
DVISALSSGNQHIPYRNHKLTMLMSDSLGGNAKTLMFVNISPAESNLDET
HNSLTYASRVRSIVNDPSKNVSSKEVARLKKLVSYWELEEIQDE
Ligand information
Ligand ID
ADP
InChI
InChI=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
InChIKey
XTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(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 3.341
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
Formula
C10 H15 N5 O10 P2
Name
ADENOSINE-5'-DIPHOSPHATE
ChEMBL
CHEMBL14830
DrugBank
DB16833
ZINC
ZINC000012360703
PDB chain
1sdm Chain A Residue 600 [
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Receptor-Ligand Complex Structure
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PDB
1sdm
Crystal structure of kinesin regulated by Ca(2+)-calmodulin.
Resolution
2.3 Å
Binding residue
(original residue number in PDB)
R897 T972 G973 G975 K976 T977 F978
Binding residue
(residue number reindexed from 1)
R9 T84 G85 G87 K88 T89 F90
Annotation score
4
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
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Molecular Function
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Biological Process
External links
PDB
RCSB:1sdm
,
PDBe:1sdm
,
PDBj:1sdm
PDBsum
1sdm
PubMed
14988396
UniProt
Q41460
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