Structure of PDB 8efe Chain A Binding Site BS02

Receptor Information
>8efe Chain A (length=740) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EMAVFGAAAPYLRKSEKERLEAQTRPFDLKKDVFVPDDKQEFVKAKIVSR
EGGKVTAETEYGKTVTVKEDQVMQQNPPKFDKIEDMAMLTFLHEPAVLYN
LKDRYGSWMIYTYSGLFCVTVNPYKWLPVYTPEVVAAYRGKKRSEAPPHI
FSISDNAYQYMLTDRENQSILITGESGAGKTVNTKRVIQYFAVLEDQIIQ
ANPALEAFGNAKTVRNDNSSRFGKFIRIHFGATGKLASADIETYLLEKSR
VIFQLKAERDYHIFYQILSNKKPELLDMLLITNNPYDYAFISQGETTVAS
IDDAEELMATDNAFDVLGFTSEEKNSMYKLTGAIMHFGNMKFKLKQREEQ
AEPDGTEEADKSAYLMGLNSADLLKGLCHPRVKVGNEYVTKGQNVQQVIY
ATGALAKAVYERMFNWMVTRINATLETKQPRQYFIGVLDIAGFEIFDFNS
FEQLCINFTNEKLQQFFNHHMFVLEQEEYKKEGIEWTFIDFGMDLQACID
LIEKPMGIMSILEEECMFPKATDMTFKAKLFDNHLGKSANFQKPRNIKGK
PEAHFSLIHYAGIVDYNIIGWLQKNKDPLNETVVGLYQKSSLKLLSTLTV
SALHRENLNKLMTNLRSTHPHFVRCIIPNETKSPGVMDNPLVMHQLRCNG
VLEGIRICRKGFPNRILYGDFRQRYRILNPASRKGAEKLLSSLDIDHNQY
KFGHTKVFFKAGLLGLLEEMRDERLSRIITRIQAQSRGVL
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 chain8efe 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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PDB8efe Conformational changes linked to ADP release from human cardiac myosin bound to actin-tropomyosin.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		N126 P127 Y128 K129 S180 G181 G183 K184 T185 V186
Binding residue
(residue number reindexed from 1)		N122 P123 Y124 K125 S176 G177 G179 K180 T181 V182
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:8efe, PDBe:8efe, PDBj:8efe
PDBsum8efe
PubMed36633586
UniProtP12883|MYH7_HUMAN Myosin-7 (Gene Name=MYH7)

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