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BMRB: 5328

1L7B

Solution NMR structure of the BRCT domain from Thermus thermophilus DNA ligase

Authors

Sahota, G.S., Dixon, B.L., Huang, Y., Aramini, J.M., Bhattacharya, A., Monleon, D., Swapna, G.V.T., Yin, C., Anderson, S., Tejero, R., Montelione, G.T.

Assembly

DNA Ligase BRCT domain

Entity

1. DNA Ligase BRCT domain (polymer), 92 monomers, 10013.44 Da Detail

MEKGGEALKG LTFVITGELS RPREEVKALL RRLGAKVTDS VSRKTSYLVV GENPGSKLEK ARALGVPTLT EEELYRLLEA RTGKKAEELV GS

Formula weight

10013.44 Da

Source organism

Thermus thermophilus

Exptl. method

Refine. method

SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.9 %, Completeness: 86.5 %, Completeness (bb): 96.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	86.5 % (910 of 1052)	82.9 % (457 of 551)	89.3 % (367 of 411)	95.6 % (86 of 90)
Backbone	96.0 % (524 of 546)	96.3 % (184 of 191)	95.9 % (255 of 266)	95.5 % (85 of 89)
Sidechain	79.3 % (466 of 588)	75.8 % (273 of 360)	84.6 % (192 of 227)	100.0 % (1 of 1)
Aromatic	100.0 % (26 of 26)	100.0 % (13 of 13)	100.0 % (13 of 13)
Methyl	82.5 % (99 of 120)	80.0 % (48 of 60)	85.0 % (51 of 60)

1. DNA Ligase Thermus Thermophilus BRCT

MEKGGEALKG LTFVITGELS RPREEVKALL RRLGAKVTDS VSRKTSYLVV GENPGSKLEK ARALGVPTLT EEELYRLLEA RTGKKAEELV GS

Show sample condition

Sample

Pressure 1 atm, Temperature 293 K, pH 6.2

#	Name	Isotope labeling	Type	Concentration
1	DNA Ligase Thermus Thermophilus BRCT	[U-99% 13C; U-99% 15N]		1.3 mM

LACS Plot; CA

Referencing offset: -0.39 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: -0.39 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: 0.0 ppm, Outliers: 2 Detail

LACS Plot; CO

Referencing offset: -0.57 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 1L7B, Strand ID: A Detail

Release date

2006-04-05

Citation 1

Solution NMR structure of the BRCT domain from Thermus thermophilus DNA ligase
Sahota, G.S., Dixon, B.L., Huang, Y., Aramini, J.M., Bhattacharya, A., Monleon, D., Swapna, G.V.T., Yin, C., Anderson, S., Montelione, G.T., Tejero, R.
J. Biomol. NMR

Show more 3 citaions

Citation 2

NMRPipe: a multidimensional spectral processing system based on UNIX pipes
Delaglio, F., Grzesiek, S., Vuister, G.W., Zhu, G., Pfeifer, J., Bax, A.
J. Biomol. NMR (1995), 6, 277-293, PubMed 8520220 , DOI 10.1007/bf00197809 , Abstract

Citation 3

Automated analysis of protein NMR assignments using methods from artificial intelligence
Zimmerman, D.E., Kulikowski, C.A., Huang, Y., Feng, W., Tashiro, M., Shimotakahara, S., Chien, C., Powers, R., Montelione, G.T.
J. Mol. Biol. (1997), 269, 592-610, PubMed 9217263 , DOI 10.1006/jmbi.1997.1052 , Abstract

Citation 4

Automatic determination of protein backbone resonance assignments from triple resonance nuclear magnetic resonance data
Moseley, H.N., Monleon, D., Montelione, G.T.
Methods. Enzymol. (2001), 339, 91-108, PubMed 11462827 , DOI 10.1016/s0076-6879(01)39311-4 , Abstract

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Related entities 1. DNA Ligase BRCT domain, : 1 : 2 : 88 entities Detail

Experiments performed 13 experiments Detail

1 H_COTOCSY

Instrument

Varian UNITY Inova - 500 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 293 K, pH 6.2

#	Name	Isotope labeling	Type	Concentration
1	DNA Ligase Thermus Thermophilus BRCT	[U-99% 13C; U-99% 15N]		1.3 mM

2 HBHA(CBCACO)NH

Instrument

Varian UNITY Inova - 500 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 293 K, pH 6.2

#	Name	Isotope labeling	Type	Concentration
1	DNA Ligase Thermus Thermophilus BRCT	[U-99% 13C; U-99% 15N]		1.3 mM

3 13C-edited NOESY

Instrument

Varian UNITY Inova - 500 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 293 K, pH 6.2

#	Name	Isotope labeling	Type	Concentration
1	DNA Ligase Thermus Thermophilus BRCT	[U-99% 13C; U-99% 15N]		1.3 mM

4 HNCO

Instrument

Varian UNITY Inova - 500 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 293 K, pH 6.2

#	Name	Isotope labeling	Type	Concentration
1	DNA Ligase Thermus Thermophilus BRCT	[U-99% 13C; U-99% 15N]		1.3 mM

5 C_CBCA(CO)NH

Instrument

Varian UNITY Inova - 500 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 293 K, pH 6.2

#	Name	Isotope labeling	Type	Concentration
1	DNA Ligase Thermus Thermophilus BRCT	[U-99% 13C; U-99% 15N]		1.3 mM

6 C_CBCANH

Instrument

Varian UNITY Inova - 500 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 293 K, pH 6.2

#	Name	Isotope labeling	Type	Concentration
1	DNA Ligase Thermus Thermophilus BRCT	[U-99% 13C; U-99% 15N]		1.3 mM

7 NH_HSQC

Instrument

Varian UNITY Inova - 500 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 293 K, pH 6.2

#	Name	Isotope labeling	Type	Concentration
1	DNA Ligase Thermus Thermophilus BRCT	[U-99% 13C; U-99% 15N]		1.3 mM

8 NH_HSQC

Instrument

Varian UNITY Inova - 500 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 293 K, pH 6.2

#	Name	Isotope labeling	Type	Concentration
2	DNA Ligase Thermus Thermophilus BRCT	[U-99% 15N]		1.3 mM

9 H_CABB

Instrument

Varian UNITY Inova - 500 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 293 K, pH 6.2

#	Name	Isotope labeling	Type	Concentration
1	DNA Ligase Thermus Thermophilus BRCT	[U-99% 13C; U-99% 15N]		1.3 mM

10 C_COBB

Instrument

Varian UNITY Inova - 500 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 293 K, pH 6.2

#	Name	Isotope labeling	Type	Concentration
1	DNA Ligase Thermus Thermophilus BRCT	[U-99% 13C; U-99% 15N]		1.3 mM

11 HACACOCANH

Instrument

Varian UNITY Inova - 500 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 293 K, pH 6.2

#	Name	Isotope labeling	Type	Concentration
1	DNA Ligase Thermus Thermophilus BRCT	[U-99% 13C; U-99% 15N]		1.3 mM

12 H_COBB

Instrument

Varian UNITY Inova - 500 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 293 K, pH 6.2

#	Name	Isotope labeling	Type	Concentration
1	DNA Ligase Thermus Thermophilus BRCT	[U-99% 13C; U-99% 15N]		1.3 mM

13 C_COTOCSY

Instrument

Varian UNITY Inova - 500 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 293 K, pH 6.2

#	Name	Isotope labeling	Type	Concentration
1	DNA Ligase Thermus Thermophilus BRCT	[U-99% 13C; U-99% 15N]		1.3 mM

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