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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)

Total1H13C15N
All43.9 % (910 of 2071)22.7 % (244 of 1075)63.3 % (508 of 802)81.4 % (158 of 194)
Backbone71.3 % (777 of 1090)44.9 % (172 of 383)84.4 % (449 of 532)89.1 % (156 of 175)
Sidechain22.7 % (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)
Methyl63.3 % (105 of 166)60.2 % (50 of 83)66.3 % (55 of 83)

1. gp17.1

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

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


#NameIsotope labelingTypeConcentration
1gp17.1[u-2H13C15N; 100% back-exchange]13 mg
2sodium phosphatenatural abundance20 mM
3sodium chloridenatural abundance500 mM
4EDTAnatural abundance1 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


#NameIsotope labelingTypeConcentration
5gp17.1[isoleucine-(1HD1, 13CD1)-u-15N; 100% back-exchange]13 mg
6sodium phosphatenatural abundance20 mM
7sodium chloridenatural abundance500 mM
8EDTAnatural abundance1 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


#NameIsotope labelingTypeConcentration
9gp17.1[alanine-(1HB, 13CB)-u-15N; 100% back-exchange]13 mg
10sodium phosphatenatural abundance20 mM
11sodium chloridenatural abundance500 mM
12EDTAnatural abundance1 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


#NameIsotope labelingTypeConcentration
13gp17.1[leucine-(1HD, 13CD)proR-valine-(1HG, 13CG)proR-u-15N; 100% back-exchange]13 mg
14sodium phosphatenatural abundance20 mM
15sodium chloridenatural abundance500 mM
16EDTAnatural abundance1 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


#NameIsotope labelingTypeConcentration
17gp17.1[threonine-(1HG2, 13CG2)-u-15N; 100% back-exchange]13 mg
18sodium phosphatenatural abundance20 mM
19sodium chloridenatural abundance500 mM
20EDTAnatural abundance1 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


#NameIsotope labelingTypeConcentration
21gp17.1[methionine-(1HE, 13CE)-u-15N; 100% back-exchange]13 mg
22sodium phosphatenatural abundance20 mM
23sodium chloridenatural abundance500 mM
24EDTAnatural abundance1 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


#NameIsotope labelingTypeConcentration
25gp17.1[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
26sodium phosphatenatural abundance20 mM
27sodium chloridenatural abundance500 mM
28EDTAnatural abundance1 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 ,
Related entities 1. gp17.1 phage tail, : 1 : 4 : 6 entities Detail
Experiments performed 21 experiments Detail
Chemical shift validation 3 contents Detail