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1H, 13C and 15N chemical shifts for the Myxococcus xanthus CarS1 antirepressor protein
Authors
Jimenez, M., Gonzalez, C., Padmanabhan, S., Leon, E., Navarro-Aviles, G., Elias-Arnanz, M.
Assembly
CarS1
Entity
1. CarS1 (polymer, Thiol state: all free), 106 monomers, 11474.76 Da Detail

MGSSHHHHHH SSGLVPRGSH MIQDPSLIIC HDVDGAPVRI GAKVKVVPHS EDGTISQRFL GQTGIVVGLV FDDPATQYPD DPLIQVLVEG LGEDLFFPEE LELAPE


Formula weight
11474.76 Da
Source organism
Myxococcus xanthus
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete1
Sequence coverage: 93.4 %, Completeness: 79.0 %, Completeness (bb): 79.8 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All79.0 % (932 of 1180)79.2 % (481 of 607)79.0 % (372 of 471)77.5 % (79 of 102)
Backbone79.8 % (493 of 618)79.0 % (169 of 214)81.1 % (249 of 307)77.3 % (75 of 97)
Sidechain79.6 % (523 of 657)79.4 % (312 of 393)79.9 % (207 of 259)80.0 % (4 of 5)
Aromatic32.1 % (27 of 84)42.9 % (18 of 42)21.4 % (9 of 42)
Methyl95.2 % (120 of 126)95.2 % (60 of 63)95.2 % (60 of 63)

1. CarS1

MGSSHHHHHH SSGLVPRGSH MIQDPSLIIC HDVDGAPVRI GAKVKVVPHS EDGTISQRFL GQTGIVVGLV FDDPATQYPD DPLIQVLVEG LGEDLFFPEE LELAPE

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.4 (±0.1) K, pH 6.5 (±0.1)


#NameIsotope labelingTypeConcentration
1CarS1[U-100% 13C; U-100% 15N]1 (±0.2) mM
2H2Onatural abundance90 %
3D2O[U-99% 2H]10 %
4sodium phosphatenatural abundance50 mM
5DTTnatural abundance1 mM
6sodium azidenatural abundance0.1 mM
7DSSnatural abundance0.2 mM
Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298.4 (±0.1) K, pH 6.5 (±0.1)


#NameIsotope labelingTypeConcentration
8CarS1[U-100% 13C; U-100% 15N]1 (±0.2) mM
9D2O[U-99% 2H]100 %
10sodium phosphatenatural abundance50 mM
11DTTnatural abundance1 mM
12sodium azidenatural abundance0.1 mM
13DSSnatural abundance0.2 mM
Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.4 (±0.1) K, pH 6.5 (±0.1)


#NameIsotope labelingTypeConcentration
14CarS1[U-100% 15N]1 (±0.2) mM
15H2Onatural abundance90 %
16D2O[U-99% 2H]10 %
17sodium phosphatenatural abundance50 mM
18DTTnatural abundance1 mM
19sodium azidenatural abundance0.1 mM
20DSSnatural abundance0.2 mM
Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.4 (±0.1) K, pH 6.5 (±0.1)


#NameIsotope labelingTypeConcentration
21CarS1natural abundance1 (±0.2) mM
22H2Onatural abundance90 %
23D2O[U-99% 2H]10 %
24sodium phosphatenatural abundance50 mM
25DTTnatural abundance1 mM
26sodium azidenatural abundance0.1 mM
27DSSnatural abundance0.2 mM
Sample #5

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.4 (±0.1) K, pH 6.5 (±0.1)


#NameIsotope labelingTypeConcentration
28CarS1natural abundance1 (±0.2) mM
29D2O[U-99% 2H]100 %
30sodium phosphatenatural abundance50 mM
31DTTnatural abundance1 mM
32sodium azidenatural abundance0.1 mM
33DSSnatural abundance0.2 mM

Chem. Shift Complete2
Sequence coverage: 91.5 %, Completeness: 66.4 %, Completeness (bb): 62.8 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All66.4 % (1568 of 2360)81.7 % (992 of 1214)49.4 % (465 of 942)54.4 % (111 of 204)
Backbone62.8 % (776 of 1236)82.0 % (351 of 428)52.0 % (319 of 614)54.6 % (106 of 194)
Sidechain68.2 % (896 of 1314)81.6 % (641 of 786)48.3 % (250 of 518)50.0 % (5 of 10)
Aromatic31.5 % (53 of 168)52.4 % (44 of 84)10.7 % (9 of 84)
Methyl74.6 % (188 of 252)92.9 % (117 of 126)56.3 % (71 of 126)

1. CarS1

MGSSHHHHHH SSGLVPRGSH MIQDPSLIIC HDVDGAPVRI GAKVKVVPHS EDGTISQRFL GQTGIVVGLV FDDPATQYPD DPLIQVLVEG LGEDLFFPEE LELAPE

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.4 (±0.1) K, pH 6.5 (±0.1)


#NameIsotope labelingTypeConcentration
1CarS1[U-100% 13C; U-100% 15N]1 (±0.2) mM
2H2Onatural abundance90 %
3D2O[U-99% 2H]10 %
4sodium phosphatenatural abundance50 mM
5DTTnatural abundance1 mM
6sodium azidenatural abundance0.1 mM
7DSSnatural abundance0.2 mM
Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298.4 (±0.1) K, pH 6.5 (±0.1)


#NameIsotope labelingTypeConcentration
8CarS1[U-100% 13C; U-100% 15N]1 (±0.2) mM
9D2O[U-99% 2H]100 %
10sodium phosphatenatural abundance50 mM
11DTTnatural abundance1 mM
12sodium azidenatural abundance0.1 mM
13DSSnatural abundance0.2 mM
Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.4 (±0.1) K, pH 6.5 (±0.1)


#NameIsotope labelingTypeConcentration
14CarS1[U-100% 15N]1 (±0.2) mM
15H2Onatural abundance90 %
16D2O[U-99% 2H]10 %
17sodium phosphatenatural abundance50 mM
18DTTnatural abundance1 mM
19sodium azidenatural abundance0.1 mM
20DSSnatural abundance0.2 mM
Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.4 (±0.1) K, pH 6.5 (±0.1)


#NameIsotope labelingTypeConcentration
21CarS1natural abundance1 (±0.2) mM
22H2Onatural abundance90 %
23D2O[U-99% 2H]10 %
24sodium phosphatenatural abundance50 mM
25DTTnatural abundance1 mM
26sodium azidenatural abundance0.1 mM
27DSSnatural abundance0.2 mM
Sample #5

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.4 (±0.1) K, pH 6.5 (±0.1)


#NameIsotope labelingTypeConcentration
28CarS1natural abundance1 (±0.2) mM
29D2O[U-99% 2H]100 %
30sodium phosphatenatural abundance50 mM
31DTTnatural abundance1 mM
32sodium azidenatural abundance0.1 mM
33DSSnatural abundance0.2 mM

Release date
2009-01-14
Citation
1H, 13C and 15N backbone and side chain resonance assignments of a Myxococcus xanthus anti-repressor with no known sequence homologues
Leon, E., Gonzalez, C., Elias-Arnanz, M., Padmanabhan, S., Jimenez, M.
Biomol. NMR Assign. (2009), 3, 37-40, PubMed 19636942 , DOI 10.1007/s12104-008-9136-2 ,
Related entities 1. CarS1, : 1 : 1 : 4 entities Detail
Experiments performed 21 experiments Detail
Chemical shift validation 4 contents Detail
Keywords antirepressor, NMR