Structure of PDB 6ysy Chain A Binding Site BS01

Receptor Information
>6ysy Chain A (length=767) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KDADMAIFGEAAPYLRKSEKERIEAQNKPFDAKSSVFVADPKESFVKATV
QSREGGKVTAKTEAGATVTVKEDQVFPMNPPKYDKIEDMAMMTHLHEPAV
LYNLKERYAAWMIYTYSGLFCVTVNPYKWLPVYNAEVVTAYRGKKRQEAP
PHIFSISDNAYQFMLTDRENQSILITGESGAGKTVNTKRVIQYFATIMQG
TLEDQIISANPLLEAFANAKTVRNDNSSRFGKFIRIHFGTTGKLASADIE
TYLLEKSRVTFQLKAERSYHIFYQIMSNKKPDLIEMLLITTNPYDYAFVS
QGEITVPSIDDQEELMATDSAIDILGFTSDERVSIYKLTGAVMHYGNMKF
KQKQREEQAEPDGTEVADKAAYLQSLNSADLLKALCYPRVKVGNEYVTKG
QTVQQVYNSVGALAKAVYEKMFLWMVTRINQQLDTKQPRQYFIGVLDIAG
FEIFDFNSLEQLCINFTNEKLQQFFNHHMFVLEQEEYKKEGIEWTFIDFG
MDLAACIELIEKPMGIFSILEEECMFPKATDTSFKNKLYEQHLGKSNNFQ
KPKPEAHFSLVHYAGTVDYNITGWLDKNKDPLNETVVGLYQKSAMKTLAF
LFTSFQTVSALFRENLNKLMTNLRSTHPHFVRCIIPNETKTPGAMEHELV
LHQLRCNGVLEGIRICRKGFPSRILYADFKQRYKVLNASAIPEGQFIDSK
KASEKLLGSIDVDHTQYKFGHTKVFFKAGLLGLLEEMRDDKLAQLITRTQ
AMCRGFLARVEYKKMVE
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 chain6ysy Chain A Residue 2001 [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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PDB6ysy Single Residue Variation in Skeletal Muscle Myosin Enables Direct and Selective Drug Targeting for Spasticity and Muscle Stiffness.
Resolution3.246 Å
Binding residue
(original residue number in PDB)		N127 P128 X130 W131 G182 G184 K185 T186 V187 N241
Binding residue
(residue number reindexed from 1)		N125 P126 X128 W129 G180 G182 K183 T184 V185 N224
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:0006936 muscle contraction
Cellular Component
GO:0005737 cytoplasm
GO:0016459 myosin complex
GO:0016460 myosin II complex
GO:0030016 myofibril
GO:0032982 myosin filament
GO:0043232 intracellular non-membrane-bounded organelle

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6ysy, PDBe:6ysy, PDBj:6ysy
PDBsum6ysy
PubMed33035452
UniProtQ28641|MYH4_RABIT Myosin-4 (Gene Name=MYH4)

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