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Found 1 Document (1.847 seconds)

BMRB: 5051

1JCU

Backbone 1H, 13C, and 15N and Side-Chain 1H Chemical Shift Assignments for MTH1692

Authors

Yee, A., Chang, X., Pineda_Lucena, A., Wu, B., Semesi, A., Le, B., Ramelot, T., Lee, G.M., Bhattacharyya, S., Gutierrez, P., Denisov, A., Lee, C.H., Cort, J.R., Kozlov, G., Liao, J., Finak, G., Chen, L., Wishart, D., Lee, W., McIntosh, L.P., Gehring, K., Kennedy, M.A., Edwards, A.M., Arrowsmith, C.H.

Assembly

MTH1692

Entity

1. MTH1692 (polymer, Thiol state: all free), 208 monomers, 22613.91 Da Detail

MLIRKITRKN PSPDVLEEAI SVMEGGGIVI YPTDTIYGLG VNALDEDAVR RLFRVKGRSP HKPVSICVSC VDEIPRFSRP SGDAMELMER ILPGPYTVVL ERNELIPDVI TGGSSRVGIR VPDDEICRRI AARFPVTATS ANISGKPPSP RLEEIVRDLD AVDLVLDAGD CLDMEPSTVI DLTVNPPRVL RRGKGPLDPV LLRGAGDV

Formula weight

22613.91 Da

Source organism

Methanothermobacter thermautotrophicus

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.3 %, Completeness: 65.5 %, Completeness (bb): 76.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	65.5 % (1526 of 2331)	74.2 % (902 of 1216)	48.7 % (449 of 922)	90.7 % (175 of 193)
Backbone	76.7 % (926 of 1208)	89.8 % (371 of 413)	62.6 % (380 of 607)	93.1 % (175 of 188)
Sidechain	57.6 % (757 of 1314)	66.1 % (531 of 803)	44.7 % (226 of 506)	0.0 % (0 of 5)
Aromatic	36.2 % (21 of 58)	48.3 % (14 of 29)	24.1 % (7 of 29)
Methyl	65.2 % (180 of 276)	95.7 % (132 of 138)	34.8 % (48 of 138)

1. MTH1692

Show sample condition

Sample #1

Temperature 320 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	MTH1692	[U-15N]		3.0 mM
2	NaCl			150 mM

Sample #2

Temperature 320 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	MTH1692	[U-13C; U-15N]		3.0 mM
4	NaCl			150 mM

Sample #3

Temperature 320 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	MTH1692			3.0 mM
6	NaCl			150 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	null	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: 0.4 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	null	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: 0.4 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	null	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: -0.1 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 1JCU, Strand ID: A Detail

Release date

2002-08-21

Citation

An NMR approach to structural proteomics
Yee, A., Chang, X., Pineda_Lucena, A., Wu, B., Semesi, A., Le, B., Ramelot, T., Lee, G.M., Bhattacharyya, S., Gutierrez, P., Denisov, A., Lee, C.H., Cort, J.R., Kozlov, G., Liao, J., Finak, G., Chen, L., Wishart, D., Lee, W., McIntosh, L.P., Gehring, K., Kennedy, M.A., Edwards, A.M., Arrowsmith, C.H.
Proc. Natl. Acad. Sci. U. S. A. (2002), 99, 1825-1830, PubMed 11854485 , DOI 10.1073/pnas.042684599 , Abstract

Related entities 1. MTH1692, : 1 : 90 entities Detail

Experiments performed 7 experiments Detail

1 3D CBCA(CO)NH

Instrument

#1 Model Varian UnityPlus (800 MHz)

#2 Model Bruker DRX (500 MHz)

Sample #1

Temperature 320 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	MTH1692	[U-15N]		3.0 mM
2	NaCl			150 mM

Sample #2

Temperature 320 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	MTH1692	[U-13C; U-15N]		3.0 mM
4	NaCl			150 mM

Sample #3

Temperature 320 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	MTH1692			3.0 mM
6	NaCl			150 mM

2 3D HNCACB

Instrument

#1 Model Varian UnityPlus (800 MHz)

#2 Model Bruker DRX (500 MHz)

Sample #1

Temperature 320 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	MTH1692	[U-15N]		3.0 mM
2	NaCl			150 mM

Sample #2

Temperature 320 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	MTH1692	[U-13C; U-15N]		3.0 mM
4	NaCl			150 mM

Sample #3

Temperature 320 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	MTH1692			3.0 mM
6	NaCl			150 mM

3 3D HNCA

Instrument

#1 Model Varian UnityPlus (800 MHz)

#2 Model Bruker DRX (500 MHz)

Sample #1

Temperature 320 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	MTH1692	[U-15N]		3.0 mM
2	NaCl			150 mM

Sample #2

Temperature 320 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	MTH1692	[U-13C; U-15N]		3.0 mM
4	NaCl			150 mM

Sample #3

Temperature 320 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	MTH1692			3.0 mM
6	NaCl			150 mM

4 3D 1H-1H-15N NOESY

Instrument

#1 Model Varian UnityPlus (800 MHz)

#2 Model Bruker DRX (500 MHz)

Sample #1

Temperature 320 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	MTH1692	[U-15N]		3.0 mM
2	NaCl			150 mM

Sample #2

Temperature 320 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	MTH1692	[U-13C; U-15N]		3.0 mM
4	NaCl			150 mM

Sample #3

Temperature 320 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	MTH1692			3.0 mM
6	NaCl			150 mM

5 3D 1H-1H-15N TOCSY

Instrument

#1 Model Varian UnityPlus (800 MHz)

#2 Model Bruker DRX (500 MHz)

Sample #1

Temperature 320 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	MTH1692	[U-15N]		3.0 mM
2	NaCl			150 mM

Sample #2

Temperature 320 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	MTH1692	[U-13C; U-15N]		3.0 mM
4	NaCl			150 mM

Sample #3

Temperature 320 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	MTH1692			3.0 mM
6	NaCl			150 mM

6 3D 13C-1H-1H NOESY

Instrument

#1 Model Varian UnityPlus (800 MHz)

#2 Model Bruker DRX (500 MHz)

Sample #1

Temperature 320 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	MTH1692	[U-15N]		3.0 mM
2	NaCl			150 mM

Sample #2

Temperature 320 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	MTH1692	[U-13C; U-15N]		3.0 mM
4	NaCl			150 mM

Sample #3

Temperature 320 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	MTH1692			3.0 mM
6	NaCl			150 mM

7 2D 1H-1H NOESY

Instrument

#1 Model Varian UnityPlus (800 MHz)

#2 Model Bruker DRX (500 MHz)

Sample #1

Temperature 320 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	MTH1692	[U-15N]		3.0 mM
2	NaCl			150 mM

Sample #2

Temperature 320 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	MTH1692	[U-13C; U-15N]		3.0 mM
4	NaCl			150 mM

Sample #3

Temperature 320 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	MTH1692			3.0 mM
6	NaCl			150 mM

nullKeywords structural genomics

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Found 1 Document (1.847 seconds)

BMRB: 5051

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Chemical shift reference

Chemical shift reference

Related entities 1. MTH1692, : 1 : 90 entities Detail

Experiments performed 7 experiments Detail

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