Structure of PDB 5n69 Chain A Binding Site BS01

Receptor Information
>5n69 Chain A (length=760) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEMAAFGEAAPYLRKSEKERLEAQTRPFDLKKDVFVPDDKEEFVKATILS
REGGKVTAETEHGKTVTVKEDQVLQQNPPKFDKIEDMAMLTFLHEPAVLY
NLKERYASWMIYTYSGLFCVTINPYKWLPVYNAEVVAAYRGKKRSEAPPH
IFSISDNAYQYMLTDRENQSILITGESGAGKTVNTKRVIQYFAVIAATLE
DQIIQANPALEAFGNAKTVRNDNSSRFGKFIRIHFGATGKLASADIETYL
LEKSRVIFQLKAERDYHIFYQILSNKKPELLDMLLITNNPYDYAFISQGE
TTVASIDDAEELMATDNAFDVLGFTTEEKNSMYKLTGAIMHFGNMKFKLK
QREEQAEPDGTEEADKSAYLMGLNSADLLKGLCHPRVVTKGQNVQQVVYA
KGALAKAVYERMFNWMVTRINATLETKQPRQYFIGVLDIAGFEIFDFNSF
EQLCINFTNEKLQQFFNHHMFVLEQEEYKKEGIEWEFIDFGMDLQACIDL
IEKPMGIMSILEEECMFPKATDMTFKAKLFDNHLGKSSNFQKPRNIKPEA
HFSLIHYAGTVDYNIIGWLQKNKDPLNETVVDLYKKSSLKMLSSLFAQTV
SALHRENLNKLMTNLRSTHPHFVRCIIPNETKSPGVIDNPLVMHQLRCNG
VLEGIRICRKGFPNRILYGDFRQRYRILNPAAIPEIDSRKGAEKLLGSLD
IDHNQYKFGHTKVFFKAGLLGLLEEMRDERLSRIITRIQAQSRGVLSRME
FKKLLERRDS
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 chain5n69 Chain A Residue 901 [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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PDB5n69 Mechanistic and structural basis for activation of cardiac myosin force production by omecamtiv mecarbil.
Resolution2.45 Å
Binding residue
(original residue number in PDB)		N126 P127 W130 G181 G183 K184 T185 V186 N238
Binding residue
(residue number reindexed from 1)		N123 P124 W127 G178 G180 K181 T182 V183 N221
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S180 G181 T185 N238 S241 S242 G464 E466
Catalytic site (residue number reindexed from 1) S177 G178 T182 N221 S224 S225 G441 E443
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:5n69, PDBe:5n69, PDBj:5n69
PDBsum5n69
PubMed28775348
UniProtQ9BE39|MYH7_BOVIN Myosin-7 (Gene Name=MYH7)

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