BMRB: 51591

Single alpha helix peptide (P3-7)2

Authors

Escobedo, A., Piccirillo, J., Aranda, J., Diercks, T., Mateos, B., Garcia-Cabau, C., Sanchez-Navarro, M., Topal, B., Biesaga, M., Staby, L., Kragelund, B., Garcia, J., Millet, O., Orozco, M., Coles, M., Crehuet, R., Salvatella, X.

Assembly

(P3-7)2

Entity

1. (P3-7)2 (polymer, Thiol state: not present), 25 monomers, 2539.966 Da Detail

KKPGASLAAL QALQALQAAQ AAKKY

Formula weight

2539.966 Da

Exptl. method

solution NMR

Data set

RDCs, assigned_chemical_shifts, heteronucl_NOEs, heteronucl_T1_relaxation, heteronucl_T2_relaxation, spectral_density_values

Chem. Shift Complete1

Sequence coverage: 88.0 %, Completeness: 59.3 %, Completeness (bb): 75.7 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	59.3 % (169 of 285)	65.8 % (98 of 149)	41.7 % (45 of 108)	92.9 % (26 of 28)
Backbone	75.7 % (112 of 148)	90.0 % (45 of 50)	60.8 % (45 of 74)	91.7 % (22 of 24)
Sidechain	36.0 % (58 of 161)	53.5 % (53 of 99)	1.7 % (1 of 58)	100.0 % (4 of 4)
Aromatic	0.0 % (0 of 8)	0.0 % (0 of 4)	0.0 % (0 of 4)
Methyl	44.1 % (15 of 34)	82.4 % (14 of 17)	5.9 % (1 of 17)

1. entity 1

KKPGASLAAL QALQALQAAQ AAKKY

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	(P3-7)2	[U-100% 13C; U-100% 15N]		100 uM
2	DSS	natural abundance		10 uM
3	sodium phosphate	natural abundance		20 mM

Sample #2

Solvent system 50% H2O/50% D2O, Pressure 1 atm, Temperature 278 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
4	(P3-7)2	[U-100% 15N]		100 uM
5	DSS	natural abundance		10 uM
6	phosphoric acid	natural abundance		20 mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
7	(P3-7)2	[U-100% 13C; U-100% 15N]		100 uM
8	DSS	natural abundance		10 uM
9	phosphoric acid	natural abundance		20 mM

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Chem. Shift Complete2

Sequence coverage: 100.0 %, Completeness: 75.1 %, Completeness (bb): 79.7 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	75.1 % (428 of 570)	81.9 % (244 of 298)	60.6 % (131 of 216)	94.6 % (53 of 56)
Backbone	79.7 % (236 of 296)	94.0 % (94 of 100)	65.5 % (97 of 148)	93.8 % (45 of 48)
Sidechain	67.4 % (217 of 322)	75.8 % (150 of 198)	50.9 % (59 of 116)	100.0 % (8 of 8)
Aromatic	37.5 % (6 of 16)	25.0 % (2 of 8)	50.0 % (4 of 8)
Methyl	72.1 % (49 of 68)	91.2 % (31 of 34)	52.9 % (18 of 34)

1. entity 1

KKPGASLAAL QALQALQAAQ AAKKY

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	(P3-7)2	[U-100% 13C; U-100% 15N]		100 uM
2	DSS	natural abundance		10 uM
3	sodium phosphate	natural abundance		20 mM

Sample #2

Solvent system 50% H2O/50% D2O, Pressure 1 atm, Temperature 278 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
4	(P3-7)2	[U-100% 15N]		100 uM
5	DSS	natural abundance		10 uM
6	phosphoric acid	natural abundance		20 mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
7	(P3-7)2	[U-100% 13C; U-100% 15N]		100 uM
8	DSS	natural abundance		10 uM
9	phosphoric acid	natural abundance		20 mM

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Heteronucl. T₁

50 T₁ values in 2 lists
Coherence Sz, Field strength (¹H) 600 MHz, 800 MHz, Pressure 1 atm, Temperature 278 K, pH 7.4 Detail

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Pressure 1 atm, Temperature 278 K, pH 7.4

Experiment name T1/R1 relaxation

Heteronucl. T₂

50 T₂ values in 2 lists
Coherence S(+,-), Field strength (¹H) 600 MHz, 800 MHz, Pressure 1 atm, Temperature 278 K, pH 7.4 Detail

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Pressure 1 atm, Temperature 278 K, pH 7.4

Experiment name T2/R2 relaxation

Heteronucl. NOE

50 NOE values in 2 lists
Value type peak height, Field strength (¹H) 600 MHz, 800 MHz, Pressure 1 atm, Temperature 278 K, pH 7.4 Detail

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Pressure 1 atm, Temperature 278 K, pH 7.4

Experiment name 1H-15N heteronoe

Heteronucl. T₁/T₂

50 T₁/T₂ values in 2 lists
Field strength (¹H) 600 MHz, 800 MHz, Pressure 1 atm, Temperature 278 K, pH 7.4 Detail

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Pressure 1 atm, Temperature 278 K, pH 7.4

Spectral density

24 values in 1 lists
Pressure 1 atm, Temperature 278 K, pH 7.4 Detail

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Pressure 1 atm, Temperature 278 K, pH 7.4

Experiment name T1/R1 relaxation, T2/R2 relaxation, 1H-15N heteronoe

RDC

58 RDC values in 3 lists
Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 278 K, pH 7.4 Detail

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Pressure 1 atm, Temperature 278 K, pH 7.4

Experiment name 2D 1H-15N HSQC no 13C decoupling, 2D 1H-15N BEST-TROSY

List #3 RDCs_3, RDC code DCH, Field strength (¹H) 600 MHz

Release date

2022-08-21

Citation

A glutamine-based single α-helix scaffold to target globular proteins
Escobedo, A., Piccirillo, J.G., Aranda, J., Diercks, T., Mateos, B., Garcia-Cabau, C., Sanchez-Navarro, M., Topal, B., Biesaga, M., Staby, L., Kragelund, B.B., Garcia, J., Millet, O., Orozco, M., Coles, M., Crehuet, R., Salvatella, X.
Nat. Commun. (2022), 13, 7073-7073, PubMed 36400768 , DOI 10.1038/s41467-022-34793-6 , Abstract

Entries sharing articles BMRB: 26 entries Detail

Experiments performed 20 experiments Detail

Chemical shift validation 4 contents Detail