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1H, 13C, and 15N chemical shift assignments for the N-terminal domain of Thermus thermophilus CdnL
Authors
Jimenez, A., Padmanabhan, S.
Assembly
TtCdnLNt
Entity
1. TtCdnLNt (polymer, Thiol state: not present), 70 monomers, 7437.408 Da Detail

AGHMKEFRPG DKVVLPPYGV GVVAGIAQRS VSGVSRAYYQ VDFPGSRSKA YVPVEAPHSV GLRKALAPEE


Formula weight
7437.408 Da
Source organism
Thermus thermophilus
Exptl. method
solution NMR
Refine. method
torsion angle dynamics, molecular dynamics
Data set
assigned_chemical_shifts
Chem. Shift Complete1
Sequence coverage: 100.0 %, Completeness: 93.9 %, Completeness (bb): 92.4 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All93.9 % (733 of 781)97.0 % (394 of 406)90.3 % (280 of 310)90.8 % (59 of 65)
Backbone92.4 % (375 of 406)95.7 % (135 of 141)90.6 % (183 of 202)90.5 % (57 of 63)
Sidechain96.1 % (420 of 437)97.7 % (259 of 265)93.5 % (159 of 170)100.0 % (2 of 2)
Aromatic86.7 % (52 of 60)100.0 % (30 of 30)73.3 % (22 of 30)
Methyl98.7 % (75 of 76)100.0 % (38 of 38)97.4 % (37 of 38)

1. TtCdnLNt

AGHMKEFRPG DKVVLPPYGV GVVAGIAQRS VSGVSRAYYQ VDFPGSRSKA YVPVEAPHSV GLRKALAPEE

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)


#NameIsotope labelingTypeConcentration
1TtCdnLNtnatural abundance1 mM
2sodium phosphatenatural abundance50 mM
3sodium chloridenatural abundance100 mM
4sodium azidenatural abundance0.05 %
5DSSnatural abundance0.5 mM
6H2Onatural abundance90 %
7D2Onatural abundance10 %
Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)


#NameIsotope labelingTypeConcentration
8TtCdnLNtnatural abundance1 mM
9sodium phosphatenatural abundance50 mM
10sodium chloridenatural abundance100 mM
11sodium azidenatural abundance0.05 %
12DSSnatural abundance0.5 mM
13D2Onatural abundance100 %
Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)


#NameIsotope labelingTypeConcentration
14TtCdnLNt[U-100% 13C; U-100% 15N]1 mM
15sodium phosphatenatural abundance50 mM
16sodium chloridenatural abundance100 mM
17sodium azidenatural abundance0.05 %
18DSSnatural abundance0.5 mM
19H2Onatural abundance90 %
20D2Onatural abundance10 %
Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)


#NameIsotope labelingTypeConcentration
21TtCdnLNt[U-100% 13C; U-100% 15N]1 mM
22sodium phosphatenatural abundance50 mM
23sodium chloridenatural abundance100 mM
24sodium azidenatural abundance0.05 %
25DSSnatural abundance0.5 mM
26D2Onatural abundance100 %

Chem. Shift Complete2
Sequence coverage: 80.0 %, Completeness: 59.0 %, Completeness (bb): 64.7 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All59.0 % (922 of 1562)60.1 % (488 of 812)51.1 % (317 of 620)90.0 % (117 of 130)
Backbone64.7 % (525 of 812)71.3 % (201 of 282)52.2 % (211 of 404)89.7 % (113 of 126)
Sidechain53.7 % (469 of 874)54.2 % (287 of 530)52.4 % (178 of 340)100.0 % (4 of 4)
Aromatic43.3 % (52 of 120)50.0 % (30 of 60)36.7 % (22 of 60)
Methyl62.5 % (95 of 152)63.2 % (48 of 76)61.8 % (47 of 76)

1. TtCdnLNt

AGHMKEFRPG DKVVLPPYGV GVVAGIAQRS VSGVSRAYYQ VDFPGSRSKA YVPVEAPHSV GLRKALAPEE

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 288 (±0.1) K, pH 7.0 (±0.1)


#NameIsotope labelingTypeConcentration
1TtCdnLNtnatural abundance1 mM
2sodium phosphatenatural abundance50 mM
3sodium chloridenatural abundance100 mM
4sodium azidenatural abundance0.05 %
5DSSnatural abundance0.5 mM
6H2Onatural abundance90 %
7D2Onatural abundance10 %
Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 288 (±0.1) K, pH 7.0 (±0.1)


#NameIsotope labelingTypeConcentration
8TtCdnLNtnatural abundance1 mM
9sodium phosphatenatural abundance50 mM
10sodium chloridenatural abundance100 mM
11sodium azidenatural abundance0.05 %
12DSSnatural abundance0.5 mM
13D2Onatural abundance100 %
Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 288 (±0.1) K, pH 7.0 (±0.1)


#NameIsotope labelingTypeConcentration
14TtCdnLNt[U-100% 13C; U-100% 15N]1 mM
15sodium phosphatenatural abundance50 mM
16sodium chloridenatural abundance100 mM
17sodium azidenatural abundance0.05 %
18DSSnatural abundance0.5 mM
19H2Onatural abundance90 %
20D2Onatural abundance10 %
Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 288 (±0.1) K, pH 7.0 (±0.1)


#NameIsotope labelingTypeConcentration
21TtCdnLNt[U-100% 13C; U-100% 15N]1 mM
22sodium phosphatenatural abundance50 mM
23sodium chloridenatural abundance100 mM
24sodium azidenatural abundance0.05 %
25DSSnatural abundance0.5 mM
26D2Onatural abundance100 %

Chem. Shift Complete3
Sequence coverage: 81.4 %, Completeness: 47.9 %, Completeness (bb): 55.5 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All47.9 % (1123 of 2343)49.2 % (599 of 1218)37.4 % (348 of 930)90.3 % (176 of 195)
Backbone55.5 % (676 of 1218)64.3 % (272 of 423)38.6 % (234 of 606)89.9 % (170 of 189)
Sidechain40.2 % (527 of 1311)41.1 % (327 of 795)38.0 % (194 of 510)100.0 % (6 of 6)
Aromatic34.4 % (62 of 180)42.2 % (38 of 90)26.7 % (24 of 90)
Methyl46.5 % (106 of 228)47.4 % (54 of 114)45.6 % (52 of 114)

1. TtCdnLNt

AGHMKEFRPG DKVVLPPYGV GVVAGIAQRS VSGVSRAYYQ VDFPGSRSKA YVPVEAPHSV GLRKALAPEE

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 288 (±0.1) K, pH 7.0 (±0.1)


#NameIsotope labelingTypeConcentration
1TtCdnLNtnatural abundance1 mM
2sodium phosphatenatural abundance50 mM
3sodium chloridenatural abundance100 mM
4sodium azidenatural abundance0.05 %
5DSSnatural abundance0.5 mM
6H2Onatural abundance90 %
7D2Onatural abundance10 %
Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 288 (±0.1) K, pH 7.0 (±0.1)


#NameIsotope labelingTypeConcentration
8TtCdnLNtnatural abundance1 mM
9sodium phosphatenatural abundance50 mM
10sodium chloridenatural abundance100 mM
11sodium azidenatural abundance0.05 %
12DSSnatural abundance0.5 mM
13D2Onatural abundance100 %
Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 288 (±0.1) K, pH 7.0 (±0.1)


#NameIsotope labelingTypeConcentration
14TtCdnLNt[U-100% 13C; U-100% 15N]1 mM
15sodium phosphatenatural abundance50 mM
16sodium chloridenatural abundance100 mM
17sodium azidenatural abundance0.05 %
18DSSnatural abundance0.5 mM
19H2Onatural abundance90 %
20D2Onatural abundance10 %
Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 288 (±0.1) K, pH 7.0 (±0.1)


#NameIsotope labelingTypeConcentration
21TtCdnLNt[U-100% 13C; U-100% 15N]1 mM
22sodium phosphatenatural abundance50 mM
23sodium chloridenatural abundance100 mM
24sodium azidenatural abundance0.05 %
25DSSnatural abundance0.5 mM
26D2Onatural abundance100 %

Protein Blocks Logo
Calculated from 20 models in PDB: 2LQK, Strand ID: A Detail


Release date
2012-07-29
Citation
NMR structure note: N-terminal domain of Thermus thermophilus CdnL
Gallego-Garcia, A., Mirassou, Y., Elias-Arnanz, M., Padmanabhan, S., Jimenez, A.
J. Biomol. NMR (2012), 53, 355-363, PubMed 22782235 , DOI 10.1007/s10858-012-9648-z ,
Related entities 1. TtCdnLNt, : 1 : 4 : 15 entities Detail
Experiments performed 19 experiments Detail
NMR combined restraints 6 contents Detail
Keywords CarD_TRCF, CdnL, PF02559, RNA polymerase interacting domain, Thermus thermophilus