Structure of PDB 8efe Chain A Binding Site BS01

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 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 chain8efe 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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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)		K184 T185 S242
Binding residue
(residue number reindexed from 1)		K180 T181 S220
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
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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