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BMRB: 27468

6YEG

Isoleucine-, leucine-, valine-, alanine-, methionine-, threonine-methyl and backbone chemical shift assignment of gp17.1

Authors

Zinke, M., Lange, A.

Assembly

gp17.1 phage tail

Entity

1. gp17.1 phage tail (polymer, Thiol state: not present), 185 monomers, 20168.84 Da Detail

MGMPETPIMG QDVKYLFQSI DAATGSAPLF PAYQTDGSVS GERELFDEQT KNGRILGPGS VADSGEVTYY GKRGDAGQKA IEDAYQNGKQ IKFWRVDTVK NENDKYDAQF GFAYIESREY SDGVEGAVEI SISLQVIGEL KNGEIDTLPE EIVNVSKGGY DFQQPGQTTG EAPGTVPAPH HHHHH

Formula weight

20168.84 Da

Source organism

Bacteriophage sp.

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 89.2 %, Completeness: 43.9 %, Completeness (bb): 71.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	43.9 % (910 of 2071)	22.7 % (244 of 1075)	63.3 % (508 of 802)	81.4 % (158 of 194)
Backbone	71.3 % (777 of 1090)	44.9 % (172 of 383)	84.4 % (449 of 532)	89.1 % (156 of 175)
Sidechain	22.7 % (259 of 1143)	10.4 % (72 of 692)	42.8 % (185 of 432)	10.5 % (2 of 19)
Aromatic	1.1 % (2 of 178)	1.1 % (1 of 89)	0.0 % (0 of 88)	100.0 % (1 of 1)
Methyl	63.3 % (105 of 166)	60.2 % (50 of 83)	66.3 % (55 of 83)

1. gp17.1

Show sample condition

Sample #1

Solvent system 20 mM sodium phosphate, 500 mM sodium chloride, 1mM EDTA, pH 7.4, Pressure 1 atm, Temperature 291 K, pH 7.4

#	Name	Isotope labeling	Concentration
1	gp17.1	[u-2H13C15N; 100% back-exchange]	13 mg
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	500 mM
4	EDTA	natural abundance	1 mM

Sample #2

Solvent system 20 mM sodium phosphate, 500 mM sodium chloride, 1mM EDTA, pH 7.4, Pressure 1 atm, Temperature 291 K, pH 7.4, Details based on the methyl-precursor 2-Ketobutyric acid-4-13C-3,3-d2

#	Name	Isotope labeling	Concentration
5	gp17.1	[isoleucine-(1HD1, 13CD1)-u-15N; 100% back-exchange]	13 mg
6	sodium phosphate	natural abundance	20 mM
7	sodium chloride	natural abundance	500 mM
8	EDTA	natural abundance	1 mM

Sample #3

Solvent system 20 mM sodium phosphate, 500 mM sodium chloride, 1mM EDTA, pH 7.4, Pressure 1 atm, Temperature 291 K, pH 7.4, Details based on the SLAM-AB Kit from NMR-Bio

#	Name	Isotope labeling	Concentration
9	gp17.1	[alanine-(1HB, 13CB)-u-15N; 100% back-exchange]	13 mg
10	sodium phosphate	natural abundance	20 mM
11	sodium chloride	natural abundance	500 mM
12	EDTA	natural abundance	1 mM

Sample #4

Solvent system 20 mM sodium phosphate, 500 mM sodium chloride, 1mM EDTA, pH 7.4, Pressure 1 atm, Temperature 291 K, pH 7.4, Details based on the DLAM-LVproR Kit from NMR-Bio

#	Name	Isotope labeling	Concentration
13	gp17.1	[leucine-(1HD, 13CD)proR-valine-(1HG, 13CG)proR-u-15N; 100% back-exchange]	13 mg
14	sodium phosphate	natural abundance	20 mM
15	sodium chloride	natural abundance	500 mM
16	EDTA	natural abundance	1 mM

Sample #5

Solvent system 20 mM sodium phosphate, 500 mM sodium chloride, 1mM EDTA, pH 7.4, Pressure 1 atm, Temperature 291 K, pH 7.4, Details based on the SLAM-T Kit from NMR-Bio

#	Name	Isotope labeling	Concentration
17	gp17.1	[threonine-(1HG2, 13CG2)-u-15N; 100% back-exchange]	13 mg
18	sodium phosphate	natural abundance	20 mM
19	sodium chloride	natural abundance	500 mM
20	EDTA	natural abundance	1 mM

Sample #6

Solvent system 20 mM sodium phosphate, 500 mM sodium chloride, 1mM EDTA, pH 7.4, Pressure 1 atm, Temperature 291 K, pH 7.4, Details based on the SLAM-ME Kit from NMR-Bio

#	Name	Isotope labeling	Concentration
21	gp17.1	[methionine-(1HE, 13CE)-u-15N; 100% back-exchange]	13 mg
22	sodium phosphate	natural abundance	20 mM
23	sodium chloride	natural abundance	500 mM
24	EDTA	natural abundance	1 mM

Sample #7

Solvent system 20 mM sodium phosphate, 500 mM sodium chloride, 1mM EDTA, pH 7.4, Pressure 1 atm, Temperature 291 K, pH 7.4, Details based on the QLAM-AILV Kit from NMR-Bio

#	Name	Isotope labeling	Concentration
25	gp17.1	[alanine-(1HB, 13CB)- isoleucine-(1HD1, 13CD1)-( 1HG2, 13CG2)-leucine-(1HD, 13CD)proR/proS-valine-(1HG, 13CG)proR/proS- u-15N; 100% back-exchange]	13 mg
26	sodium phosphate	natural abundance	20 mM
27	sodium chloride	natural abundance	500 mM
28	EDTA	natural abundance	1 mM

Release date

2018-04-29

Citation

Protein-Protein Interfaces Probed by Methyl Labeling and Proton-Detected Solid-State NMR Spectroscopy
Zinke, M., Fricke, P., Lange, S., Zinn-Justin, S., Lange, A.
Chemphyschem. (2018), 19, 2457-2460, PubMed 29917302 , DOI 10.1002/cphc.201800542 , Abstract

Related entities 1. gp17.1 phage tail, : 1 : 4 : 6 entities Detail

Experiments performed 21 experiments Detail

1 2D hNH