Structure of PDB 8efh Chain A Binding Site BS01

Receptor Information
>8efh Chain A (length=734) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAVFGAAAPYLRKSEKERLEAQTRPFDLKKDVFVPDDKQEFVKAKIVSRE
GGKVTAETEYGKTVTVKEDQVMQQNPPKFDKIEDMAMLTFLHEPAVLYNL
KDRYGSWMIYTYSGLFCVTVNPYKWLPVYTPEVVAAYRGKKRSEAPPHIF
SISDNAYQYMLTDRENQSILITGESGAGKTVNTKRVIQYFAVLEDQIIQA
NPALEAFGNAKTVRNDNSSRFGKFIRIHFGATGKLASADIETYLLEKSRV
IFQLKAERDYHIFYQILSNKKPELLDMLLITNNPYDYAFISQGETTVASI
DDAEELMATDNAFDVLGFTSEEKNSMYKLTGAIMHFGNMKFKLKQREEQA
EPDGTEEADKSAYLMGLNSADLLKGLCHPRVKVGNEYVTKGQNVQQVIYA
TGALAKAVYERMFNWMVTRINATLETKQPRQYFIGVLDIAGFEIFDFNSF
EQLCINFTNEKLQQFFNHHMFVLEQEEYKKEGIEWTFIDFGMDLQACIDL
IEKPMGIMSILEEECMFPKATDMTFKAKLFDNHLGKSANFQKPRNIKGKP
EAHFSLIHYAGIVDYNIIGWLQKNKDPLNETVVGLYQKSSLKLLSTLFAN
KKGSSFQTVSALHRENLNKLMTNLRSTHPHFVRCIIPNETKSPGVMDNPL
VMHQLRCNGVLEGIRICRKGFPNRILYGDFRQRYRILNPASRKGAEKLLS
SLDIDHNQYKFGHTKVFFKAGLLGLLEEMRDERL
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 chain8efh 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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PDB8efh Conformational changes linked to ADP release from human cardiac myosin bound to actin-tropomyosin.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		T185 E228 S242
Binding residue
(residue number reindexed from 1)		T180 E205 S219
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:8efh, PDBe:8efh, PDBj:8efh
PDBsum8efh
PubMed36633586
UniProtP12883|MYH7_HUMAN Myosin-7 (Gene Name=MYH7)

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