Structure of PDB 1lkx Chain D Binding Site BS02

Receptor Information
>1lkx Chain D (length=660) Species: 44689 (Dictyostelium discoideum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVPDFVLLNQITENAFIENLTMRHKSDNIYTYIGDVVISTNPFKNLNIYK
ESDIKAYNGRYKYEMPPHMYALANDAYRSMRQSQENQCVIISGESGAGKT
EASKKIMQFLTFVSSNQSPNGERISKMLLDSNPLLEAFGNAKTLRNDNSS
RFGKYMEMQFNAVGSPIGGKITNYLLEKSRVVGRTQGERSFHIFYQMLKG
LSQSKLDELGLTPNAPAYEYLKKSGCFDVSTIDDSGEFKIIVKAMETLGL
KESDQNSIWRILAAILHIGNITFAEAAEQRTGTTTVKVSDTKSLAAAASC
LKTDQQSLSIALCYRSVISVPMDCNQAAYSRDALAKALYERLFNWLVSKI
NTIINCTTEKGPVIGILDIYGFEVFQNNSFEQLNINFCNEKLQQLFIELT
LKSEQEEYVREGIEWKNIEYFNNKPICELIEKKPIGLISLLDEACLIAKS
TDQTFLDSICKQFEKNPHLQSYVVSKDRSIGDTCFRLKHYAGDVTYDVRG
FLDKNKDTLFGDLISSMQSSSDPLVQGLFPETAGSQFRNAMNALITTLLA
CSPHYVRCIKSNDNKQAGVIDEDRVRHQVRYLGLLENVRVRRAGFAGRIE
YTRFYNRYKMLCKKTAKQATELILQQHNIDKEEIRMGKTKVFIRNPTTLF
YFEEKRELEM
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 chain1lkx Chain D Residue 894 [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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PDB1lkx Crystal structure of the motor domain of a class-I myosin.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		N49 P50 G104 G106 K107 T108 E109 N154 N156
Binding residue
(residue number reindexed from 1)		N41 P42 G96 G98 K99 T100 E101 N146 N148
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S103 G104 T108 N154 S157 S158 G389 E391
Catalytic site (residue number reindexed from 1) S95 G96 T100 N146 S149 S150 G371 E373
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003774 cytoskeletal motor activity
GO:0005524 ATP binding
Cellular Component
GO:0016459 myosin complex

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:1lkx, PDBe:1lkx, PDBj:1lkx
PDBsum1lkx
PubMed12032065
UniProtQ03479|MYOE_DICDI Myosin IE heavy chain (Gene Name=myoE)

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