9F6C: Myosin-7

Cardiac myosin motor domain in the pre-powerstroke state co-crystallized with the inhibitor aficamten. Determined by X-ray diffraction at 2.33 Å resolution. Released 4 Sept 2024.

Method: X-ray diffraction
Resolution: 2.33 Å
Organism: Bos taurus
Chains: 2
Atoms: 11,944
Mol. weight: 180.53 kDa
Ligands: MG, 6I6, ADP, VO4
Released: 4 Sept 2024

Explore 9F6C in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

9F6C contains 80 α-helices and 56 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 41 helices, 28 β-strands

Element	Residues	Length	Sheet
β-strand	36-41	6	1
β-strand	45-55	11	1
β-strand	58-62	5	1
β-strand	68-72	5	1
α-helix	73-75	3
β-strand	77-78	2	1
α-helix	79-81	3
α-helix	82-84	3
β-strand	89	1	2
α-helix	90-92	3
α-helix	98-110	13
β-strand	115-118	4	2
β-strand	121-125	5	2
α-helix	136-142	7
α-helix	147-149	3
α-helix	154-168	15
β-strand	172-177	6	2
β-strand	179	1	3
α-helix	184-200	17
α-helix	216-231	16
β-strand	232-233	2	4
β-strand	241-242	2	4
β-strand	245-252	8	2
β-strand	258-266	9	2
α-helix	270-273	4
β-strand	283	1	4
α-helix	284-290	7
α-helix	295-301	7
α-helix	307-309	3
α-helix	311-313	3
α-helix	325-338	14
α-helix	343-359	17
β-strand	364-366	3	5
α-helix	367-368	2
β-strand	373-375	3	5
α-helix	379-387	9
α-helix	392-400	9
β-strand	403-406	4	6
β-strand	409-412	4	6
α-helix	413-414	2
α-helix	417-447	31
β-strand	455-461	7	2
α-helix	462-464	3
β-strand	465	1	3
α-helix	473-490	18
α-helix	491-496	6
α-helix	497-503	7
α-helix	518-525	8
α-helix	530-537	8
α-helix	545-556	12
β-strand	563-564	2	7
α-helix	568-569	2
α-helix	573-574	2
β-strand	577-581	5	7
β-strand	584-588	5	7
α-helix	593-598	6
α-helix	603-610	8
α-helix	615-620	6
α-helix	647-662	16
β-strand	666-673	8	2
α-helix	686-696	11
α-helix	698-707	10
β-strand	711-714	4	8
α-helix	715-722	8
α-helix	723-725	3
α-helix	738-748	11
β-strand	756-758	3	8
β-strand	762-765	4	8
α-helix	769-781	13

Chain B: 39 helices, 28 β-strands

Element	Residues	Length	Sheet
β-strand	36-41	6	9
β-strand	45-55	11	9
β-strand	58-63	6	9
β-strand	68-72	5	9
α-helix	73-75	3
β-strand	77-78	2	9
α-helix	79-81	3
α-helix	82-84	3
β-strand	89	1	10
α-helix	90-92	3
α-helix	98-110	13
β-strand	115-118	4	10
β-strand	121-125	5	10
α-helix	136-142	7
α-helix	147-149	3
α-helix	154-168	15
β-strand	172-177	6	10
β-strand	179	1	11
α-helix	184-201	18
α-helix	216-231	16
β-strand	232-233	2	12
β-strand	241-242	2	12
β-strand	245-252	8	10
β-strand	258-266	9	10
α-helix	270-273	4
β-strand	283	1	12
α-helix	284-290	7
α-helix	295-300	6
α-helix	307-309	3
α-helix	311-313	3
α-helix	325-338	14
α-helix	343-359	17
β-strand	364-366	3	13
β-strand	373-375	3	13
α-helix	379-387	9
α-helix	392-400	9
β-strand	403-406	4	14
β-strand	409-412	4	14
α-helix	413-414	2
α-helix	417-447	31
β-strand	455-461	7	10
α-helix	462-464	3
β-strand	465	1	11
α-helix	473-490	18
α-helix	491-496	6
α-helix	497-503	7
α-helix	518-525	8
α-helix	530-537	8
α-helix	545-556	12
β-strand	563-564	2	15
β-strand	577-581	5	15
β-strand	584-588	5	15
α-helix	589	1
α-helix	593-598	6
α-helix	603-610	8
α-helix	615-620	6
α-helix	647-662	16
β-strand	666-673	8	10
α-helix	686-696	11
α-helix	698-707	10
β-strand	711-714	4	16
α-helix	715-722	8
α-helix	723-725	3
α-helix	738-747	10
β-strand	756-758	3	16
β-strand	762-765	4	16
α-helix	769-780	12

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Myosin-7	A, B	protein	782	Bos taurus	Q9BE39 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>9F6C_1 Myosin-7 (chains A, B)
MVDAEMAAFGEAAPYLRKSEKERLEAQTRPFDLKKDVFVPDDKEEFVKATILSREGGKVT
AETEHGKTVTVKEDQVLQQNPPKFDKIEDMAMLTFLHEPAVLYNLKERYASWMIYTYSGL
FCVTINPYKWLPVYNAEVVAAYRGKKRSEAPPHIFSISDNAYQYMLTDRENQSILITGES
GAGKTVNTKRVIQYFAVIAAIGDRSKKEQATGKGTLEDQIIQANPALEAFGNAKTVRNDN
SSRFGKFIRIHFGATGKLASADIETYLLEKSRVIFQLKAERDYHIFYQILSNKKPELLDM
LLITNNPYDYAFISQGETTVASIDDAEELMATDNAFDVLGFTTEEKNSMYKLTGAIMHFG
NMKFKLKQREEQAEPDGTEEADKSAYLMGLNSADLLKGLCHPRVKVGNEYVTKGQNVQQV
VYAKGALAKAVYERMFNWMVTRINATLETKQPRQYFIGVLDIAGFEIFDFNSFEQLCINF
TNEKLQQFFNHHMFVLEQEEYKKEGIEWEFIDFGMDLQACIDLIEKPMGIMSILEEECMF
PKATDMTFKAKLFDNHLGKSSNFQKPRNIKGKPEAHFSLIHYAGTVDYNIIGWLQKNKDP
LNETVVDLYKKSSLKMLSSLFANYAGFDTPIEKGKGKAKKGSSFQTVSALHRENLNKLMT
NLRSTHPHFVRCIIPNETKSPGVIDNPLVMHQLRCNGVLEGIRICRKGFPNRILYGDFRQ
RYRILNPAAIPEGQFIDSRKGAEKLLGSLDIDHNQYKFGHTKVFFKAGLLGLLEEMRDER
LS

Ligands and cofactors

ID	Name	Formula	Copies
MG	Magnesium ion	Mg	2
6I6	aficamten	C18 H19 N5 O2	2
ADP	Adenosine-5'-diphosphate	C10 H15 N5 O10 P2	2
VO4	Vanadate ion	O4 V	2

Water and common crystallization additives (SO4) are not listed.

Primary citation

Aficamten is a small-molecule cardiac myosin inhibitor designed to treat hypertrophic cardiomyopathy. Hartman, J.J., Hwee, D.T., Robert-Paganin, J. et al. Nat Cardiovasc Res (2024) 3:1003-1016. DOI 10.1038/s44161-024-00505-0 · PubMed

Other PDB entries of the same protein (UniProt Q9BE39 (AlphaFold model), which also has an AlphaFold model), best resolution first:

8QYR 1.8 Å, Beta-cardiac myosin motor domain in the pre-powerstroke state complexed to Mavacamten
8QYU 1.96 Å, Beta-cardiac myosin S1 fragment in the pre-powerstroke state complexed to Omecamtiv…
6FSA 2.33 Å, Beta-Cardiac myosin post-rigor
5N69 2.45 Å, Cardiac muscle myosin S1 fragment in the pre-powerstroke state co-crystallized with the…
8QYQ 2.61 Å, Beta-cardiac myosin S1 fragment in the pre-powerstroke state complexed to Mavacamten
8QYP 2.76 Å, Beta-cardiac myosin motor domain in the pre-powerstroke state
5N6A 3.1 Å, Cardiac muscle myosin motor domain in the pre-powerstroke state
6X5Z 4.24 Å, Bovine Cardiac Myosin in Complex with Chicken Skeletal Actin and Human Cardiac…

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