Structure of PDB 5n6a Chain A Binding Site BS01

Receptor Information
>5n6a Chain A (length=710) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GEAAPYLRKSEKERLEAQTRPFDLKKDVFVPDDKEEFVKATILSREGGKV
TAETEHGKTVTVKEDQVLQQNPPKFDKIEDMAMLTFLHEPAVLYNLKERY
ASWMIYTYSGLFCVTINPYKWLPVYNAEVVAAYRGKKRSEAPPHIFSISD
NAYQYMLTDRENQSILITGESGAGKTVNTKRVIQYFAVIAALEDQIIQAN
PALEAFGNAKTVRNDNSSRFGKFIRIHFGATGKLASADIETYLLEKSRVI
FQLKAERDYHIFYQILSNKKPEDMLLITNNPYDYAFISQGETTVASIDDA
EELMATDNAFDVLGFTTEEKNSMYKLTGAIMHFGNMKFKLKQREEQAEPD
GTEEADKSAYLMGLNSADLLKGLCHPRVKVGNEYVTKGQNVQQVVYAKGA
LAKAVYERMFNWMVTRINATLETKQPRQYFIGVLDIAGFEIFDFNSFEQL
CINFTNEKLQQFFNHHMFVLEQEEYKKEGIEWEFIDFGMDLQACIDLIEK
PMGIMSILEEECMFPKATDMTFKAKLFDNHLGKSSNFQKPRNPEAHFSLI
HYAGTVDYNIIGWLQKNKDPLNETVVDLYKKSSLKMLSSLFANYAGFFQT
VSALHRENLNKLMTNLRSTHPHFVRCIIPNETKSPGVIDNPLVMHQLRCN
GVLEGIRICRKGFPNRILYGDFIDSRKGAEKLLGDIDHNQYKFGHTKVFF
KAGLLGLLEE
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 chain5n6a 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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PDB5n6a Mechanistic and structural basis for activation of cardiac myosin force production by omecamtiv mecarbil.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		N126 P127 Y128 W130 S180 G181 A182 G183 K184 T185 V186 N238
Binding residue
(residue number reindexed from 1)		N117 P118 Y119 W121 S171 G172 A173 G174 K175 T176 V177 N214
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) S171 G172 T176 N214 S217 S218 G438 E440
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:5n6a, PDBe:5n6a, PDBj:5n6a
PDBsum5n6a
PubMed28775348
UniProtQ9BE39|MYH7_BOVIN Myosin-7 (Gene Name=MYH7)

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