8QYU: Myosin-7

Beta-cardiac myosin S1 fragment in the pre-powerstroke state complexed to Omecamtiv mecarbil. Determined by X-ray diffraction at 1.96 Å resolution. Released 13 Dec 2023.

Method: X-ray diffraction
Resolution: 1.96 Å
Organism: Bos taurus
Chains: 4
Atoms: 15,636
Mol. weight: 232 kDa
Ligands: ADP, VO4, MG, 2OW
Released: 13 Dec 2023

Explore 8QYU in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8QYU contains 104 α-helices and 64 β-strands across 4 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: 42 helices, 28 β-strands

Element	Residues	Length	Sheet
α-helix	4-12	9
α-helix	13-16	4
α-helix	20-27	8
β-strand	36-41	6	1
β-strand	45-55	11	1
β-strand	58-63	6	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	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	271-273	3
β-strand	283	1	4
α-helix	284-290	7
α-helix	295-301	7
α-helix	307-309	3
α-helix	325-338	14
α-helix	343-359	17
β-strand	364-366	3	5
β-strand	373-375	3	5
α-helix	379-388	10
α-helix	392-400	9
β-strand	403-405	3	6
β-strand	410-412	3	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	497-504	8
α-helix	518-525	8
α-helix	530-537	8
α-helix	545-556	12
β-strand	563-564	2	7
β-strand	577-581	5	7
β-strand	584-588	5	7
α-helix	589	1
α-helix	593-598	6
α-helix	603-610	8
α-helix	615-620	6
α-helix	647-663	17
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	727-729	3
α-helix	738-747	10
α-helix	753-755	3
β-strand	756-758	3	8
β-strand	762-765	4	8
α-helix	767-808	42

Chain B: 41 helices, 28 β-strands

Element	Residues	Length	Sheet
α-helix	7-12	6
α-helix	13-16	4
α-helix	20-28	9
β-strand	36-41	6	9
β-strand	45-53	9	9
β-strand	58-62	5	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	154-168	15
β-strand	172-177	6	10
β-strand	179	1	11
α-helix	184-200	17
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	271-273	3
β-strand	283	1	12
α-helix	284-290	7
α-helix	295-301	7
α-helix	307-309	3
α-helix	325-338	14
α-helix	343-359	17
β-strand	364-365	2	13
β-strand	374-375	2	13
α-helix	379-388	10
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	593-598	6
α-helix	603-610	8
α-helix	615-620	6
α-helix	647-663	17
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	727-729	3
α-helix	738-747	10
α-helix	753-755	3
β-strand	756-758	3	16
β-strand	762-765	4	16
α-helix	767-805	39

Chain G: 11 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	52-62	11
α-helix	63-65	3
β-strand	74-76	3	17
α-helix	77-79	3
α-helix	80-86	7
α-helix	93-100	8
α-helix	105-110	6
β-strand	112-114	3	17
α-helix	115-125	11
α-helix	134-142	9
β-strand	151-152	2	18
α-helix	154-163	10
α-helix	170-177	8
β-strand	187-188	2	18
α-helix	189-197	9

Chain H: 10 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	52-64	13
β-strand	75-76	2	19
α-helix	77-79	3
α-helix	80-86	7
α-helix	93-99	7
α-helix	105-110	6
β-strand	112-113	2	19
α-helix	115-125	11
α-helix	134-142	9
β-strand	151-153	3	20
α-helix	154-163	10
α-helix	170-177	8
β-strand	186-188	3	20
α-helix	189-197	9

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Myosin-7	A, B	protein	810	Bos taurus	Q9BE39 (AlphaFold model)
Myosin light chain 3	G, H	protein	199	Bos taurus	P85100 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>8QYU_1 Myosin-7 (chains A, B)
MVDAEMAAFGEAAPYLRKSEKERLEAQTRPFDLKKDVFVPDDKEEFVKATILSREGGKVT
AETEHGKTVTVKEDQVLQQNPPKFDKIEDMAMLTFLHEPAVLYNLKERYASWMIYTYSGL
FCVTINPYKWLPVYNAEVVAAYRGKKRSEAPPHIFSISDNAYQYMLTDRENQSILITGES
GAGKTVNTKRVIQYFAVIAAIGDRSKKEQATGKGTLEDQIIQANPALEAFGNAKTVRNDN
SSRFGKFIRIHFGATGKLASADIETYLLEKSRVIFQLKAERDYHIFYQILSNKKPELLDM
LLITNNPYDYAFISQGETTVASIDDAEELMATDNAFDVLGFTTEEKNSMYKLTGAIMHFG
NMKFKLKQREEQAEPDGTEEADKSAYLMGLNSADLLKGLCHPRVKVGNEYVTKGQNVQQV
VYAKGALAKAVYERMFNWMVTRINATLETKQPRQYFIGVLDIAGFEIFDFNSFEQLCINF
TNEKLQQFFNHHMFVLEQEEYKKEGIEWEFIDFGMDLQACIDLIEKPMGIMSILEEECMF
PKATDMTFKAKLFDNHLGKSSNFQKPRNIKGKPEAHFSLIHYAGTVDYNIIGWLQKNKDP
LNETVVDLYKKSSLKMLSSLFANYAGFDTPIEKGKGKAKKGSSFQTVSALHRENLNKLMT
NLRSTHPHFVRCIIPNETKSPGVIDNPLVMHQLRCNGVLEGIRICRKGFPNRILYGDFRQ
RYRILNPAAIPEGQFIDSRKGAEKLLGSLDIDHNQYKFGHTKVFFKAGLLGLLEEMRDER
LSRIITRIQAQSRGVLSRMEFKKLLERRDS

Sequence of entity 2 (G, H), FASTA

>8QYU_2 Myosin light chain 3 (chains G, H)
MAPKKPDPKKDEAKAGAKAAAAPAPAPAPPPAPEPSKEPEFDPSKIKIEFTPEQIEEFKE
AFTLFDRTPKCEMKITYGQCGDVLRALGQNPTQAEVLRVLGKPKQEELNSKMMDFDTFLP
MLQHISKNKDTGTYEDFVEGLRVFDKEGNGTVMGAELRHVLATLGEKLTEDEVEKLMAGQ
EDSNGCINYEAFVKHIMAG

Ligands and cofactors

ID	Name	Formula	Copies
ADP	Adenosine-5'-diphosphate	C10 H15 N5 O10 P2	2
VO4	Vanadate ion	O4 V	2
MG	Magnesium ion	Mg	2
2OW	methyl 4-(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}benzyl)piperazine-…	C20 H24 F N5 O3	2
MLA	Malonic acid	C3 H4 O4	1

Water and common crystallization additives (FMT, DMS, GOL) are not listed.

Primary citation

Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction. Auguin, D., Robert-Paganin, J., Rety, S. et al. bioRxiv (2023). DOI 10.1101/2023.11.15.567213 · 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
6FSA 2.33 Å, Beta-Cardiac myosin post-rigor
9F6C 2.33 Å, Cardiac myosin motor domain in the pre-powerstroke state co-crystallized with the…
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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