Structure of PDB 3myh Chain X Binding Site BS03

Receptor Information
>3myh Chain X (length=708) Species: 44689 (Dictyostelium discoideum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPIHDRTSDYHKYLKVKQGDSDLFKLTVSDKRYIWYNPDPKERDSYECGE
IVSETSDSFTFKTVDGQDRQVKKDDANQRNPIKFDGVEDMSELSYLNEPA
VFHNLRVRYNQDLIYTYSGLFLVAVNPFKRIPIYTQEMVDIFKGRRRNEV
APHIFAISDVAYRSMLDDRQNQSLLITGESGAGKTENTKKVIQYLASVAG
RGVLEQQILQANPILEAFGNAKTTRNNNASRFGKFIEIQFNSAGFISGAS
IQSYLLEKSRVVFQSETERNYHIFYQLLAGATAEEKKALHLAGPESFNYL
NQSGCVDIKGVSDSEEFKITRQAMDIVGFSQEEQMSIFKIIAGILHLGNI
KFEKGAGEGAVLKDKTALNAASTVFGVNPSVLEKALMEPRILAGRDLVAQ
HLNVEKSSSSRDALVKALYGRLFLWLVKKINNVLCQERKAYFIGVLDISG
FEIFKVNSFEQLCINYTNEKLQQFFNHHMFKLEQEEYLKEKINWTFIDFG
LDSQATIDLIDGRQPPGILALLDEQSVFPNATDNTLITKLHSHFSKKNAK
YEEPRFSKTEFGVTHYAGQVMYEIQDWLEKNKDPLQQDLELCFKDSSDNV
VTKLFNDPNIASRAKKGANFITVAAQYKEQLASLMATLETTNPHFVRCII
PNNKQLPAKLEDKVVLDQLRCNGVLEGIRITRKGFPNRIIYADDPEQYRF
GITKIFFR
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 chain3myh Chain X Residue 999 [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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PDB3myh Insights into the importance of hydrogen bonding in the gamma-phosphate binding pocket of myosin: structural and functional studies of serine 236
Resolution2.01 Å
Binding residue
(original residue number in PDB)		N127 P128 F129 K130 G182 G184 K185 T186 E187 N233
Binding residue
(residue number reindexed from 1)		N126 P127 F128 K129 G181 G183 K184 T185 E186 N226
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S181 T186 A236 S237
Catalytic site (residue number reindexed from 1) S180 T185 A229 S230
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003774 cytoskeletal motor activity
GO:0005524 ATP binding
GO:0051015 actin filament binding
Cellular Component
GO:0016459 myosin complex

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:3myh, PDBe:3myh, PDBj:3myh
PDBsum3myh
PubMed20459085
UniProtP08799|MYS2_DICDI Myosin-2 heavy chain (Gene Name=mhcA)

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