BMRBj - BMREntryMaster

Found 1 Document (0.654 seconds)

BMRB: 30681

6UT2

3D structure of the leiomodin/tropomyosin binding interface

Authors

Tolkatchev, D., Smith, G.E., Helms, G.L., Cort, J.R., Kostyukova, A.S.

Assembly

Leiomodin-2, Tropomyosin alpha-1 chain chimeric peptide

Entity

1. Leiomodin-2, Tropomyosin alpha-1 chain chimeric peptide, entity 1 (polymer, Thiol state: not present), 40 monomers, 4664.008 Da Detail

STFGYRRGLS KYESIDEDEL LASLSAEELK ELERELEDIE

2. Leiomodin-2, Tropomyosin alpha-1 chain chimeric peptide, entity 2 (polymer, Thiol state: not present), 33 monomers, 3900.635 × 2 Da Detail

GMDAIKKKMQ MLKLDNYHLE NEVARLKKLV GER

Total weight

12465.277 Da

Max. entity weight

4664.008 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.3 %, Completeness: 69.7 %, Completeness (bb): 93.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	69.7 % (617 of 885)	62.9 % (293 of 466)	75.1 % (254 of 338)	86.4 % (70 of 81)
Backbone	93.4 % (409 of 438)	90.7 % (136 of 150)	95.3 % (205 of 215)	93.2 % (68 of 73)
Sidechain	53.1 % (274 of 516)	49.7 % (157 of 316)	59.9 % (115 of 192)	25.0 % (2 of 8)
Aromatic	10.5 % (4 of 38)	21.1 % (4 of 19)	0.0 % (0 of 19)
Methyl	61.5 % (48 of 78)	64.1 % (25 of 39)	59.0 % (23 of 39)

1. entity 1

STFGYRRGLS KYESIDEDEL LASLSAEELK ELERELEDIE

2. entity 2

GMDAIKKKMQ MLKLDNYHLE NEVARLKKLV GER

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5 (±0.1), Details 0.5 mM [U-13C; U-15N] leiomodin peptide, 1 mM tropomyosin peptide, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	leiomodin peptide	[U-13C; U-15N]		0.5 (±0.1) mM
2	tropomyosin peptide	natural abundance		1 (±0.2) mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5 (±0.1), Details 0.5 mM [U-13C; U-15N] tropomyosin peptide, 1 mM leiomodin peptide, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
3	leiomodin peptide	natural abundance		1 (±0.2) mM
4	tropomyosin peptide	[U-13C; U-15N]		0.5 (±0.1) mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5 (±0.1), Details 0.3 mM [U-15N] leiomodin peptide, 0.6 mM tropomyosin peptide, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
5	leiomodin peptide	[U-15N]		0.3 (±0.05) mM
6	tropomyosin peptide	natural abundance		0.6 (±0.1) mM

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5 (±0.1), Details 0.3 mM [U-15N] tropomyosin peptide, 0.6 mM leiomodin peptide, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
7	leiomodin peptide	natural abundance		0.6 (±0.1) mM
8	tropomyosin peptide	[U-15N]		0.3 (±0.05) mM

Protein Blocks Logo

Calculated from 10 models in PDB: 6UT2, Strand ID: A, B, C Detail

Release date

2019-11-12

Citation

Leiomodin creates a leaky cap at the pointed end of actin-thin filaments
Tolkatchev, D., Smith, G.E., Schultz, L.E., Colpan, M., Helms, G.L., Cort, J.R., Gregorio, C.C., Kostyukova, A.S.
PLoS Biol. (2020), 18, e3000848-e3000848, PubMed 32898131 , DOI 10.1371/journal.pbio.3000848 , Abstract

Related entities 1. Leiomodin-2, Tropomyosin alpha-1 chain chimeric peptide, entity 1, : 1 : 4 : 3 : 2 : 43 entities Detail

Related entities 2. Leiomodin-2, Tropomyosin alpha-1 chain chimeric peptide, entity 2, : 10 entities Detail

Experiments performed 21 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian VNMRS - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5 (±0.1), Details 0.3 mM [U-15N] leiomodin peptide, 0.6 mM tropomyosin peptide, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
5	leiomodin peptide	[U-15N]		0.3 (±0.05) mM
6	tropomyosin peptide	natural abundance		0.6 (±0.1) mM

2 2D 1H-15N HSQC

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5 (±0.1), Details 0.5 mM [U-13C; U-15N] leiomodin peptide, 1 mM tropomyosin peptide, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	leiomodin peptide	[U-13C; U-15N]		0.5 (±0.1) mM
2	tropomyosin peptide	natural abundance		1 (±0.2) mM

3 2D 1H-15N HSQC

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5 (±0.1), Details 0.5 mM [U-13C; U-15N] tropomyosin peptide, 1 mM leiomodin peptide, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
3	leiomodin peptide	natural abundance		1 (±0.2) mM
4	tropomyosin peptide	[U-13C; U-15N]		0.5 (±0.1) mM

4 2D 1H-13C HSQC aliphatic

Instrument

Varian INOVA - 500 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	leiomodin peptide	[U-13C; U-15N]		0.5 (±0.1) mM
2	tropomyosin peptide	natural abundance		1 (±0.2) mM

5 2D 1H-13C HSQC aromatic

Instrument

Varian INOVA - 500 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	leiomodin peptide	[U-13C; U-15N]		0.5 (±0.1) mM
2	tropomyosin peptide	natural abundance		1 (±0.2) mM

6 3D HNCO

Instrument

Varian INOVA - 500 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	leiomodin peptide	[U-13C; U-15N]		0.5 (±0.1) mM
2	tropomyosin peptide	natural abundance		1 (±0.2) mM

7 3D HN(CO)CA

Instrument

Varian INOVA - 500 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	leiomodin peptide	[U-13C; U-15N]		0.5 (±0.1) mM
2	tropomyosin peptide	natural abundance		1 (±0.2) mM

8 3D HNCA

Instrument

Varian INOVA - 500 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	leiomodin peptide	[U-13C; U-15N]		0.5 (±0.1) mM
2	tropomyosin peptide	natural abundance		1 (±0.2) mM

9 3D CBCA(CO)NH

Instrument

Varian INOVA - 500 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	leiomodin peptide	[U-13C; U-15N]		0.5 (±0.1) mM
2	tropomyosin peptide	natural abundance		1 (±0.2) mM

10 3D HBHA(CO)NH

Instrument

Varian INOVA - 500 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	leiomodin peptide	[U-13C; U-15N]		0.5 (±0.1) mM
2	tropomyosin peptide	natural abundance		1 (±0.2) mM

11 3D HCCH-TOCSY

Instrument

Varian INOVA - 500 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	leiomodin peptide	[U-13C; U-15N]		0.5 (±0.1) mM
2	tropomyosin peptide	natural abundance		1 (±0.2) mM

12 3D 1H-15N NOESY

Instrument

Varian INOVA - 500 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	leiomodin peptide	[U-13C; U-15N]		0.5 (±0.1) mM
2	tropomyosin peptide	natural abundance		1 (±0.2) mM

13 3D 1H-13C NOESY

Instrument

Varian VNMRS - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	leiomodin peptide	[U-13C; U-15N]		0.5 (±0.1) mM
2	tropomyosin peptide	natural abundance		1 (±0.2) mM

14 3D HNCO

Instrument

Varian INOVA - 500 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
3	leiomodin peptide	natural abundance		1 (±0.2) mM
4	tropomyosin peptide	[U-13C; U-15N]		0.5 (±0.1) mM

15 3D HN(CO)CA

Instrument

Varian INOVA - 500 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
3	leiomodin peptide	natural abundance		1 (±0.2) mM
4	tropomyosin peptide	[U-13C; U-15N]		0.5 (±0.1) mM

16 3D HNCA

Instrument

Varian INOVA - 500 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
3	leiomodin peptide	natural abundance		1 (±0.2) mM
4	tropomyosin peptide	[U-13C; U-15N]		0.5 (±0.1) mM

17 3D CBCA(CO)NH

Instrument

Varian INOVA - 500 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
3	leiomodin peptide	natural abundance		1 (±0.2) mM
4	tropomyosin peptide	[U-13C; U-15N]		0.5 (±0.1) mM

18 3D HCCH-TOCSY

Instrument

Varian INOVA - 500 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
3	leiomodin peptide	natural abundance		1 (±0.2) mM
4	tropomyosin peptide	[U-13C; U-15N]		0.5 (±0.1) mM

19 3D HNCACB

Instrument

Varian INOVA - 500 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
3	leiomodin peptide	natural abundance		1 (±0.2) mM
4	tropomyosin peptide	[U-13C; U-15N]		0.5 (±0.1) mM

20 2D 1H-15N HSQC

Instrument

Varian VNMRS - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
3	leiomodin peptide	natural abundance		1 (±0.2) mM
4	tropomyosin peptide	[U-13C; U-15N]		0.5 (±0.1) mM

21 3D 1H-15N NOESY

Instrument

Varian VNMRS - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
3	leiomodin peptide	natural abundance		1 (±0.2) mM
4	tropomyosin peptide	[U-13C; U-15N]		0.5 (±0.1) mM

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30681_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	OK

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr30681_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	OK	658		97.5 (chain: 1, length: 40), 97.0 (chain: 2, length: 33)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 40, Sequence coverage: 97.5%
  - Entity_assembly_ID: 2, Chain length: 33, Sequence coverage: 97.0%
- Total number of assignments
  - ¹H chemical shifts: 337
  - ¹³C chemical shifts: 251
  - ¹⁵N chemical shifts: 70
- Completeness of assignments
  - Entity_assemble_ID: 1
  - Entity_assemble_ID: 2
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1
  - Chain_ID: 2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	243	163	67.1
¹³C chemical shifts	181	138	76.2
¹⁵N chemical shifts	43	38	88.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	82	77	93.9
¹³C chemical shifts	80	77	96.3
¹⁵N chemical shifts	40	38	95.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	161	86	53.4
¹³C chemical shifts	101	61	60.4
¹⁵N chemical shifts	3	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	21	11	52.4
¹³C chemical shifts	21	10	47.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	13	4	30.8
¹³C chemical shifts	13	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	223	128	57.4
¹³C chemical shifts	157	113	72.0
¹⁵N chemical shifts	38	32	84.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	68	59	86.8
¹³C chemical shifts	66	62	93.9
¹⁵N chemical shifts	33	30	90.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	155	69	44.5
¹³C chemical shifts	91	51	56.0
¹⁵N chemical shifts	5	2	40.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	21	12	57.1
¹³C chemical shifts	21	10	47.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	6	0	0.0
¹³C chemical shifts	6	0	0.0

Keywords pointed end, thin filaments

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Found 1 Document (0.654 seconds)

BMRB: 30681

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Related entities 1. Leiomodin-2, Tropomyosin alpha-1 chain chimeric peptide, entity 1, : 1 : 4 : 3 : 2 : 43 entities Detail

Related entities 2. Leiomodin-2, Tropomyosin alpha-1 chain chimeric peptide, entity 2, : 10 entities Detail

Experiments performed 21 experiments Detail

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Chemical shift validation 4 contents Detail