Structure of PDB 8qyp Chain A Binding Site BS02

Receptor Information
>8qyp Chain A (length=706) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLKKDVFVPDDKEEFVKATILVTAETEHGKTVTVKEDQVLQQNPPKFDKI
EDMAMLTFLHEPAVLYNLKERYASWMIYTYSGLFCVTINPYKWLPVYNAE
VVAAYRGKKRSEAPPHIFSISDNAYQYMLTDRENQSILITGESGAGKTVN
TKRVIQYFAVIAAIGGKGTLEDQIIQANPALEAFGNAKTVRNDNSSRFGK
FIRIHFGATGKLASADIETYLLEKSRVIFQLKAERDYHIFYQILSNKKPE
LLDMLLITNNPYDYAFISQGETTVASIDDAEELMATDNAFDVLGFTTEEK
NSMYKLTGAIMHFGNMKFKLKEQAEPDGTEEADKSAYLMGLNSADLLKGL
CHPRVKVGNEYVTKGQNVQQVVYAKGALAKAVYERMFNWMVTRINATLET
KQPRQYFIGVLDIAGFEIFDFNSFEQLCINFTNEKLQQFFNHHMFVLEQE
EYKKEGIEWEFIDFGMDLQACIDLIEKPMGIMSILEEECMFPKATDMTFK
AKLFDNHLGKSSNFQKPRNIKGKPEAHFSLIHYAGTVDYNIIGWLQKNKD
PLNETVVDLYKKSSLKMLSSLFANYAQTVSALHRENLNKLMTNLRSTHPH
FVRCIIPNETKSPGVIDNPLVMHQLRCNGVLEGIRICRKGFPNRILYGDF
RQRYRILNPAAIDSRKGAEKLLGSLDIDHNQYKFGHTKVFFKAGLLGLLE
EMRDER
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8qyp Chain A Residue 903 [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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PDB8qyp Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction.
Resolution2.759 Å
Binding residue
(original residue number in PDB)		T185 S242
Binding residue
(residue number reindexed from 1)		T148 S196
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

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Molecular Function
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Cellular Component
External links
PDB RCSB:8qyp, PDBe:8qyp, PDBj:8qyp
PDBsum8qyp
PubMed38014327
UniProtQ9BE39|MYH7_BOVIN Myosin-7 (Gene Name=MYH7)

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