Structure of PDB 9f6c Chain A Binding Site BS01

Receptor Information

>9f6c Chain A (length=717) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

LKKDVFVPDDKEEFVKATILSREGGKVTAETEHGKTVTVKEDQVLQQNPP
KFDKIEDMAMLTFLHEPAVLYNLKERYASWMIYTYSGLFCVTINPYKWLP
VYNAEVVAAYRGKKRSEAPPHIFSISDNAYQYMLTDRENQSILITGESGA
GKTVNTKRVIQYFAVIAAITGKGTLEDQIIQANPALEAFGNAKTVRNDNS
SRFGKFIRIHFGATGKLASADIETYLLEKSRVIFQLKAERDYHIFYQILS
NKKPELLDMLLITNNPYDYAFISQGETTVASIDDAEELMATDNAFDVLGF
TTEEKNSMYKLTGAIMHFGNMKFKLKQREQAEPDGTEEADKSAYLMGLNS
ADLLKGLCHPRVKVGNEYVTKGQNVQQVVYAKGALAKAVYERMFNWMVTR
INATLETKQPRQYFIGVLDIAGFEIFDFNSFEQLCINFTNEKLQQFFNHH
MFVLEQEEYKKEGIEWEFIDFGMDLQACIDLIEKPMGIMSILEEECMFPK
ATDMTFKAKLFDNHLGKSSNFQKPRNIKGKPEAHFSLIHYAGTVDYNIIG
WLQKNKDPLNETVVDLYKKSSLKMLSSLFANYAQTVSALHRENLNKLMTN
LRSTHPHFVRCIIPNETKSPGVIDNPLVMHQLRCNGVLEGIRICRKGFPN
RILYGDFRQRYRILNPAAIPIDSRKGAEKLLGSLDIDHNQYKFGHTKVFF
KAGLLGLLEEMRDERLS

Ligand information

Ligand ID

InChI

InChI=1S/Mg/q+2

InChIKey

JLVVSXFLKOJNIY-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Mg+2]
CACTVS 3.341	[Mg++]

Formula

Name

MAGNESIUM ION

PDB chain

9f6c Chain A Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	9f6c Aficamten is a small-molecule cardiac myosin inhibitor designed to treat hypertrophic cardiomyopathy.
Resolution	2.33 Å
Binding residue (original residue number in PDB)	T185 S242
Binding residue (residue number reindexed from 1)	T153 S201
Annotation score	4

External links

PDB	RCSB:9f6c, PDBe:9f6c, PDBj:9f6c
PDBsum	9f6c
PubMed	39196032
UniProt	Q9BE39\|MYH7_BOVIN Myosin-7 (Gene Name=MYH7)

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