Structure of PDB 6fsa Chain A Binding Site BS02

Receptor Information
>6fsa Chain A (length=783) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDAEMAAFGEAAPYLRKSEKERLEAQTRPFDLKKDVFVPDDKEEFVKATI
LSREGGKVTAETEHGKTVTVKEDQVLQQNPPKFDKIEDMAMLTFLHEPAV
LYNLKERYASWMIYTYSGLFCVTINPYKWLPVYNAEVVAAYRGKKRSEAP
PHIFSISDNAYQYMLTDRENQSILITGESGAGKTVNTKRVIQYFAVIAAI
GDRSKKEQATGKGTLEDQIIQANPALEAFGNAKTVRNDNSSRFGKFIRIH
FGATGKLASADIETYLLEKSRVIFQLKAERDYHIFYQILSNKKPELLDML
LITNNPYDYAFISQGETTVASIDDAEELMATDNAFDVLGFTTEEKNSMYK
LTGAIMHFGNMKFKLKQREEQAEPDGTEEADKSAYLMGLNSADLLKGLCH
PRVKYVTKGQNVQQVVYAKGALAKAVYERMFNWMVTRINATLETKQPRQY
FIGVLDIAGFEIFDFNSFEQLCINFTNEKLQQFFNHHMFVLEQEEYKKEG
IEWEFIDFGMDLQACIDLIEKPMGIMSILEEECMFPKATDMTFKAKLFDN
HLGKSSNFQKPRNIKGKPEAHFSLIHYAGTVDYNIIGWLQKNKDPLNETV
VDLYKKSSLKMLSSLFANYAGFTVSALHRENLNKLMTNLRSTHPHFVRCI
IPNETKSPGVIDNPLVMHQLRCNGVLEGIRICRKGFPNRILYGDFRQRYR
ILNPAAIPEGQFIDSRKGAEKLLGSLDIDHNQYKFGHTKVFFKAGLLGLL
EEMRDERLSRIITRIQAQSRGVLSRMEFKKLLE
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 chain6fsa Chain A Residue 2002 [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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PDB6fsa Hypertrophic cardiomyopathy disease results from disparate impairments of cardiac myosin function and auto-inhibition.
Resolution2.33 Å
Binding residue
(original residue number in PDB)
N126 P127 X129 W130 S180 G181 G183 K184 T185 V186 N238
Binding residue
(residue number reindexed from 1)
N125 P126 X128 W129 S179 G180 G182 K183 T184 V185 N237
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000146 microfilament motor activity
GO:0003774 cytoskeletal motor activity
GO:0003779 actin binding
GO:0005516 calmodulin binding
GO:0005524 ATP binding
GO:0051015 actin filament binding
Biological Process
GO:0007512 adult heart development
GO:0030049 muscle filament sliding
GO:0045214 sarcomere organization
GO:0060048 cardiac muscle contraction
Cellular Component
GO:0005737 cytoplasm
GO:0016459 myosin complex
GO:0016460 myosin II complex
GO:0030016 myofibril
GO:0030017 sarcomere
GO:0032982 myosin filament

View graph for
Molecular Function

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Biological Process

View graph for
Cellular Component
External links
PDB RCSB:6fsa, PDBe:6fsa, PDBj:6fsa
PDBsum6fsa
PubMed30275503
UniProtQ9BE39|MYH7_BOVIN Myosin-7 (Gene Name=MYH7)

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