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Found 1 Document (1.801 seconds)

BMRB: 5842

1Q48

Backbone and side chain 1H, 13C, and 15N chemical shift assignments for Haemophilus influenza protein IR24

Authors

Ramelot, T.A., Kennedy, M.A.

Assembly

IR24

Entity

1. IR24 (polymer, Thiol state: all free), 134 monomers, 14464.16 Da Detail

MAYSEKVIDH YENPRNVGSL DKKDSNVGTG MVGAPACGDV MQLQIKVDDN GIIEDAKFKT YGCGSAIASS SLITEWVKGK SLEEAGAIKN SQIAEELELP PVKVHCSILA EDAIKAAIAD YKAKQGLEHH HHHH

Formula weight

14464.16 Da

Source organism

Haemophilus influenzae

Exptl. method

NMR

Refine. method

SIMULATED ANNEALING, TORSION ANGLE DYNAMICS, AUTOMATED ANALYSIS OF NOESY DATA AND 3D STRUCTURES

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 86.6 %, Completeness: 79.0 %, Completeness (bb): 83.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	79.0 % (1179 of 1492)	78.0 % (601 of 771)	79.3 % (461 of 581)	83.6 % (117 of 140)
Backbone	83.0 % (661 of 796)	84.0 % (231 of 275)	82.1 % (321 of 391)	83.8 % (109 of 130)
Sidechain	75.8 % (621 of 819)	74.6 % (370 of 496)	77.6 % (243 of 313)	80.0 % (8 of 10)
Aromatic	36.0 % (31 of 86)	37.2 % (16 of 43)	33.3 % (14 of 42)	100.0 % (1 of 1)
Methyl	93.9 % (139 of 148)	91.9 % (68 of 74)	95.9 % (71 of 74)

1. IR24

MAYSEKVIDH YENPRNVGSL DKKDSNVGTG MVGAPACGDV MQLQIKVDDN GIIEDAKFKT YGCGSAIASS SLITEWVKGK SLEEAGAIKN SQIAEELELP PVKVHCSILA EDAIKAAIAD YKAKQGLEHH HHHH

Show sample condition

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	IR24	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
4	IR24	[U-15N]	1 mM
5	MES		20 mM
6	NaCl		100 mM

LACS Plot; CA

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

Referencing offset: -0.17 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.17 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.03 ppm, Outliers: 4 Detail

LACS Plot; CO

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

Referencing offset: -0.07 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 1Q48, Strand ID: A Detail

Release date

2005-05-02

Citation 1

Solution NMR structure of the iron-sulfur cluster assembly protein U (IscU) with zinc bound at the active site
Ramelot, T.A., Cort, J.R., Goldsmith-Fischman, S., Kornhaber, G.J., Xiao, R., Shastry, R., Acton, T.B., Honig, B., Montelione, G.T., Kennedy, M.A.
J. Mol. Biol. (2004), 344, 567-583, PubMed 15522305 , DOI 10.1016/j.jmb.2004.08.038 , Abstract

Show more 1 citaion

Citation 2

The Xplor-NIH NMR molecular structure determination package
Schwieters, C.D., Kuszewski, J.J., Tjandra, N., Clore, G.M.
J. Magn. Reson. (2003), 160, 65-73, PubMed 12565051 , DOI: , Abstract

Hide non-primary 1 citaion

Related entities 1. IR24, : 1 : 1 : 1 : 93 entities Detail

Interaction partners 1. IR24, : 2 interactors Detail

More details for 2 interactors identified by 1 citations

Experiments performed 18 experiments Detail

1 1H-15N HSQC

Instrument

#1 Model Varian Varian (500 MHz)

#2 Model Varian Varian (600 MHz)

#3 Model Varian Varian (750 MHz)

#4 Model Varian Varian (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	IR24	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
4	IR24	[U-15N]	1 mM
5	MES		20 mM
6	NaCl		100 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
7	IR24	[U-5% 13C; U-100% 15N]	1 mM
8	MES		20 mM
9	NaCl		100 mM

2 1H-13C HSQC (aliph)

Instrument

#1 Model Varian Varian (500 MHz)

#2 Model Varian Varian (600 MHz)

#3 Model Varian Varian (750 MHz)

#4 Model Varian Varian (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	IR24	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
4	IR24	[U-15N]	1 mM
5	MES		20 mM
6	NaCl		100 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
7	IR24	[U-5% 13C; U-100% 15N]	1 mM
8	MES		20 mM
9	NaCl		100 mM

3 15N-edited NOESY-HQSC

Instrument

#1 Model Varian Varian (500 MHz)

#2 Model Varian Varian (600 MHz)

#3 Model Varian Varian (750 MHz)

#4 Model Varian Varian (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	IR24	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
4	IR24	[U-15N]	1 mM
5	MES		20 mM
6	NaCl		100 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
7	IR24	[U-5% 13C; U-100% 15N]	1 mM
8	MES		20 mM
9	NaCl		100 mM

4 HCC-TOCSY-NNH

Instrument

#1 Model Varian Varian (500 MHz)

#2 Model Varian Varian (600 MHz)

#3 Model Varian Varian (750 MHz)

#4 Model Varian Varian (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	IR24	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
4	IR24	[U-15N]	1 mM
5	MES		20 mM
6	NaCl		100 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
7	IR24	[U-5% 13C; U-100% 15N]	1 mM
8	MES		20 mM
9	NaCl		100 mM

5 HCCH-TOCSY

Instrument

#1 Model Varian Varian (500 MHz)

#2 Model Varian Varian (600 MHz)

#3 Model Varian Varian (750 MHz)

#4 Model Varian Varian (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	IR24	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
4	IR24	[U-15N]	1 mM
5	MES		20 mM
6	NaCl		100 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
7	IR24	[U-5% 13C; U-100% 15N]	1 mM
8	MES		20 mM
9	NaCl		100 mM

6 13C-edited-NOESY-HSQC (aliph)

Instrument

#1 Model Varian Varian (500 MHz)

#2 Model Varian Varian (600 MHz)

#3 Model Varian Varian (750 MHz)

#4 Model Varian Varian (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	IR24	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
4	IR24	[U-15N]	1 mM
5	MES		20 mM
6	NaCl		100 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
7	IR24	[U-5% 13C; U-100% 15N]	1 mM
8	MES		20 mM
9	NaCl		100 mM

7 CBCACOCAHA

Instrument

#1 Model Varian Varian (500 MHz)

#2 Model Varian Varian (600 MHz)

#3 Model Varian Varian (750 MHz)

#4 Model Varian Varian (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	IR24	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
4	IR24	[U-15N]	1 mM
5	MES		20 mM
6	NaCl		100 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
7	IR24	[U-5% 13C; U-100% 15N]	1 mM
8	MES		20 mM
9	NaCl		100 mM

8 HNCA

Instrument

#1 Model Varian Varian (500 MHz)

#2 Model Varian Varian (600 MHz)

#3 Model Varian Varian (750 MHz)

#4 Model Varian Varian (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	IR24	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
4	IR24	[U-15N]	1 mM
5	MES		20 mM
6	NaCl		100 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
7	IR24	[U-5% 13C; U-100% 15N]	1 mM
8	MES		20 mM
9	NaCl		100 mM

9 HN(CO)CA

Instrument

#1 Model Varian Varian (500 MHz)

#2 Model Varian Varian (600 MHz)

#3 Model Varian Varian (750 MHz)

#4 Model Varian Varian (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	IR24	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
4	IR24	[U-15N]	1 mM
5	MES		20 mM
6	NaCl		100 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
7	IR24	[U-5% 13C; U-100% 15N]	1 mM
8	MES		20 mM
9	NaCl		100 mM

10 HNCO

Instrument

#1 Model Varian Varian (500 MHz)

#2 Model Varian Varian (600 MHz)

#3 Model Varian Varian (750 MHz)

#4 Model Varian Varian (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	IR24	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
4	IR24	[U-15N]	1 mM
5	MES		20 mM
6	NaCl		100 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
7	IR24	[U-5% 13C; U-100% 15N]	1 mM
8	MES		20 mM
9	NaCl		100 mM

11 HNCACB

Instrument

#1 Model Varian Varian (500 MHz)

#2 Model Varian Varian (600 MHz)

#3 Model Varian Varian (750 MHz)

#4 Model Varian Varian (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	IR24	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
4	IR24	[U-15N]	1 mM
5	MES		20 mM
6	NaCl		100 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
7	IR24	[U-5% 13C; U-100% 15N]	1 mM
8	MES		20 mM
9	NaCl		100 mM

12 CBCA(CO)NH

Instrument

#1 Model Varian Varian (500 MHz)

#2 Model Varian Varian (600 MHz)

#3 Model Varian Varian (750 MHz)

#4 Model Varian Varian (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	IR24	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
4	IR24	[U-15N]	1 mM
5	MES		20 mM
6	NaCl		100 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
7	IR24	[U-5% 13C; U-100% 15N]	1 mM
8	MES		20 mM
9	NaCl		100 mM

13 CC-TOCSY-NNH

Instrument

#1 Model Varian Varian (500 MHz)

#2 Model Varian Varian (600 MHz)

#3 Model Varian Varian (750 MHz)

#4 Model Varian Varian (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	IR24	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
4	IR24	[U-15N]	1 mM
5	MES		20 mM
6	NaCl		100 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
7	IR24	[U-5% 13C; U-100% 15N]	1 mM
8	MES		20 mM
9	NaCl		100 mM

14 HNHA

Instrument

#1 Model Varian Varian (500 MHz)

#2 Model Varian Varian (600 MHz)

#3 Model Varian Varian (750 MHz)

#4 Model Varian Varian (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	IR24	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
4	IR24	[U-15N]	1 mM
5	MES		20 mM
6	NaCl		100 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
7	IR24	[U-5% 13C; U-100% 15N]	1 mM
8	MES		20 mM
9	NaCl		100 mM

15 4D CC-NOESY

Instrument

#1 Model Varian Varian (500 MHz)

#2 Model Varian Varian (600 MHz)

#3 Model Varian Varian (750 MHz)

#4 Model Varian Varian (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	IR24	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
4	IR24	[U-15N]	1 mM
5	MES		20 mM
6	NaCl		100 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
7	IR24	[U-5% 13C; U-100% 15N]	1 mM
8	MES		20 mM
9	NaCl		100 mM

16 1H-13C HSQC (arom)

Instrument

#1 Model Varian Varian (500 MHz)

#2 Model Varian Varian (600 MHz)

#3 Model Varian Varian (750 MHz)

#4 Model Varian Varian (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	IR24	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
4	IR24	[U-15N]	1 mM
5	MES		20 mM
6	NaCl		100 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
7	IR24	[U-5% 13C; U-100% 15N]	1 mM
8	MES		20 mM
9	NaCl		100 mM

17 13C-edited-NOESY-HSQC (arom)

Instrument

#1 Model Varian Varian (500 MHz)

#2 Model Varian Varian (600 MHz)

#3 Model Varian Varian (750 MHz)

#4 Model Varian Varian (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	IR24	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
4	IR24	[U-15N]	1 mM
5	MES		20 mM
6	NaCl		100 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
7	IR24	[U-5% 13C; U-100% 15N]	1 mM
8	MES		20 mM
9	NaCl		100 mM

18 1H-13C HSQC (alpha)

Instrument

#1 Model Varian Varian (500 MHz)

#2 Model Varian Varian (600 MHz)

#3 Model Varian Varian (750 MHz)

#4 Model Varian Varian (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	IR24	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
4	IR24	[U-15N]	1 mM
5	MES		20 mM
6	NaCl		100 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
7	IR24	[U-5% 13C; U-100% 15N]	1 mM
8	MES		20 mM
9	NaCl		100 mM

null

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Found 1 Document (1.801 seconds)

BMRB: 5842

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. IR24, : 1 : 1 : 1 : 93 entities Detail

Interaction partners 1. IR24, : 2 interactors Detail

Experiments performed 18 experiments Detail

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