Structure of PDB 8act Chain B Binding Site BS01

Receptor Information
>8act Chain B (length=857) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSEMAVFGAAAPYLRKSEKERLEAQTRPFDLKKDVFVPDDKQEFVKAKIV
SREGGKVTAETEYGKTVTVKEDQVMQQNPPKFDKIEDMAMLTFLHEPAVL
YNLKDRYGSWMIYTYSGLFCVTVNPYKWLPVYTPEVVAAYRGKKRSEAPP
HIFSISDNAYQYMLTDRENQSILITGESGAGKTVNTKRVIQYFAVILEDQ
IIQANPALEAFGNAKTVRNDNSSRFGKFIRIHFGATGKLASADIETYLLE
KSRVIFQLKAERDYHIFYQILSNKKPELLDMLLITNNPYDYAFISQGETT
VASIDDAEELMATDNAFDVLGFTSEEKNSMYKLTGAIMHFGNMKFKLKQE
QAEPDGTEEADKSAYLMGLNSADLLKGLCHPRVKVYVTKGQNVQQVIYAT
GALAKAVYERMFNWMVTRINATLETKQPRQYFIGVLDIAGFEIFDFNSFE
QLCINFTNEKLQQFFNHHMFVLEQEEYKKEGIEWTFIDFGMDLQACIDLI
EKPMGIMSILEEECMFPKATDMTFKAKLFDNHLGKSANFQKPRNIKGKPE
AHFSLIHYAGIVDYNIIGWLQKNKDPLNETVVGLYQKSSLKLLSTLFANY
AGFQTVSALHRENLNKLMTNLRSTHPHFVRCIIPNETKSPGVMDNPLVMH
QLRCNGVLEGIRICRKGFPNRILYGDFRQRYRILNPAAIPEGQFIDSRKG
AEKLLSSLDIDHNQYKFGHTKVFFKAGLLGLLEEMRDERLSRIITRIQAQ
SRGVLARMEYKKLLERRDSLLVIQWNIRAFMGVKNWPWMKLYFKIKPLLK
SAEREKEMASMKEEFTRLKEALEKSEARRKELEEKMVSLLQEKNDLQLQV
QAEQDNL
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 chain8act Chain B Residue 1001 [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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PDB8act Cryo-EM structure of the folded-back state of human beta-cardiac myosin.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		N126 P127 X129 W130 Y134 G181 G183 K184 T185 V186 N238 N240
Binding residue
(residue number reindexed from 1)		N124 P125 X127 W128 Y132 G179 G181 K182 T183 V184 N219 N221
Annotation score4
Enzymatic activity
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:8act, PDBe:8act, PDBj:8act
PDBsum8act
PubMed37258552
UniProtP12883|MYH7_HUMAN Myosin-7 (Gene Name=MYH7)

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