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BMRB: 5845

2H5M

Backbone and side chain 1H, 13C, and 15N chemical shift assignments for S. aureus protein MW2441 / SACOL2532. Northeast Structural Genomics Target ZR31.

Authors

Cort, J.R., Acton, T.B., Ma, L., Xiao, R., Montelione, G.T., Kennedy, M.A.

Assembly

MW2441 protein

Entity

1. MW2441 protein (polymer, Thiol state: not reported), 102 monomers, 11612.72 Da Detail

MSNLEIKQGE NKFYIGDDEN NALAEITYRF VDNNEINIDH TGVSDELGGQ GVGKKLLKAV VEHARENNLK IIASCSFAKH MLEKEDSYQD VYLGLEHHHH HH

Formula weight

11612.72 Da

Source organism

Staphylococcus aureus

Exptl. method

NMR

Refine. method

automated generation of initial distance restraint set

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete

Sequence coverage: 96.1 %, Completeness: 91.8 %, Completeness (bb): 95.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.8 % (1085 of 1182)	91.5 % (561 of 613)	91.0 % (414 of 455)	96.5 % (110 of 114)
Backbone	95.6 % (585 of 612)	95.3 % (202 of 212)	95.6 % (285 of 298)	96.1 % (98 of 102)
Sidechain	88.9 % (590 of 664)	89.5 % (359 of 401)	87.3 % (219 of 251)	100.0 % (12 of 12)
Aromatic	42.9 % (42 of 98)	42.9 % (21 of 49)	42.9 % (21 of 49)
Methyl	100.0 % (104 of 104)	100.0 % (52 of 52)	100.0 % (52 of 52)

1. MW2441

MSNLEIKQGE NKFYIGDDEN NALAEITYRF VDNNEINIDH TGVSDELGGQ GVGKKLLKAV VEHARENNLK IIASCSFAKH MLEKEDSYQD VYLGLEHHHH HH

Show sample condition

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	MW2441	[U-13C; U-15N]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	DTT		5 mM
5	CaCl2		5 mM
6	NaN3		0.02 % w/v
7	D2O		5 % v/v

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
8	MW2441	[U-5% C13; U-99% N15]	0.4 mM
9	MES		20 mM
10	NaCl		100 mM
11	DTT		10 mM
12	CaCl2		5 mM
13	NaN3		0.02 % w/v
14	D2O		5 % v/v

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
15	MW2441	[U-13C; U-15N]	1 mM
16	MES		20 mM
17	NaCl		100 mM
18	DTT		10 mM
19	CaCl2		5 mM
20	NaN3		0.02 % w/v
21	D2O		99 % v/v

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: -0.26 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: -0.26 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: -0.09 ppm, Outliers: 1 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: 0.31 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 1R57, Strand ID: A Detail

Coupling constant

65 J values in 1 lists
Field strength (¹H) 600 MHz, Temperature 293 (±1) K, pH 6.5 (±0.2) Detail

Release date

2004-10-09

Citation

Backbone and side chain 1H, 13C, and 15N chemical shift assignments for S. aureus protein MW2441 / SACOL2532. Northeast Structural Genomics Target ZR31
Cort, J.R., Acton, T.B., Ma, L., Xiao, R., Montelione, G.T., Kennedy, M.A.

Related entities 1. MW2441 protein, : 1 : 1 : 1 : 6 entities Detail

Experiments performed 14 experiments Detail

1 15N-HSQC

Instrument

Model Varian Varian (600 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	MW2441	[U-13C; U-15N]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	DTT		5 mM
5	CaCl2		5 mM
6	NaN3		0.02 % w/v
7	D2O		5 % v/v

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
8	MW2441	[U-5% C13; U-99% N15]	0.4 mM
9	MES		20 mM
10	NaCl		100 mM
11	DTT		10 mM
12	CaCl2		5 mM
13	NaN3		0.02 % w/v
14	D2O		5 % v/v

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
15	MW2441	[U-13C; U-15N]	1 mM
16	MES		20 mM
17	NaCl		100 mM
18	DTT		10 mM
19	CaCl2		5 mM
20	NaN3		0.02 % w/v
21	D2O		99 % v/v

2 13C-HSQC (aliph)

Instrument

Model Varian Varian (600 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	MW2441	[U-13C; U-15N]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	DTT		5 mM
5	CaCl2		5 mM
6	NaN3		0.02 % w/v
7	D2O		5 % v/v

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
8	MW2441	[U-5% C13; U-99% N15]	0.4 mM
9	MES		20 mM
10	NaCl		100 mM
11	DTT		10 mM
12	CaCl2		5 mM
13	NaN3		0.02 % w/v
14	D2O		5 % v/v

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
15	MW2441	[U-13C; U-15N]	1 mM
16	MES		20 mM
17	NaCl		100 mM
18	DTT		10 mM
19	CaCl2		5 mM
20	NaN3		0.02 % w/v
21	D2O		99 % v/v

3 HNCACB

Instrument

Model Varian Varian (600 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	MW2441	[U-13C; U-15N]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	DTT		5 mM
5	CaCl2		5 mM
6	NaN3		0.02 % w/v
7	D2O		5 % v/v

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
8	MW2441	[U-5% C13; U-99% N15]	0.4 mM
9	MES		20 mM
10	NaCl		100 mM
11	DTT		10 mM
12	CaCl2		5 mM
13	NaN3		0.02 % w/v
14	D2O		5 % v/v

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
15	MW2441	[U-13C; U-15N]	1 mM
16	MES		20 mM
17	NaCl		100 mM
18	DTT		10 mM
19	CaCl2		5 mM
20	NaN3		0.02 % w/v
21	D2O		99 % v/v

4 CBCA(CO)NH

Instrument

Model Varian Varian (600 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	MW2441	[U-13C; U-15N]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	DTT		5 mM
5	CaCl2		5 mM
6	NaN3		0.02 % w/v
7	D2O		5 % v/v

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
8	MW2441	[U-5% C13; U-99% N15]	0.4 mM
9	MES		20 mM
10	NaCl		100 mM
11	DTT		10 mM
12	CaCl2		5 mM
13	NaN3		0.02 % w/v
14	D2O		5 % v/v

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
15	MW2441	[U-13C; U-15N]	1 mM
16	MES		20 mM
17	NaCl		100 mM
18	DTT		10 mM
19	CaCl2		5 mM
20	NaN3		0.02 % w/v
21	D2O		99 % v/v

5 HNCO

Instrument

Model Varian Varian (600 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	MW2441	[U-13C; U-15N]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	DTT		5 mM
5	CaCl2		5 mM
6	NaN3		0.02 % w/v
7	D2O		5 % v/v

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
8	MW2441	[U-5% C13; U-99% N15]	0.4 mM
9	MES		20 mM
10	NaCl		100 mM
11	DTT		10 mM
12	CaCl2		5 mM
13	NaN3		0.02 % w/v
14	D2O		5 % v/v

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
15	MW2441	[U-13C; U-15N]	1 mM
16	MES		20 mM
17	NaCl		100 mM
18	DTT		10 mM
19	CaCl2		5 mM
20	NaN3		0.02 % w/v
21	D2O		99 % v/v

6 HCCH-TOCSY

Instrument

Model Varian Varian (600 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	MW2441	[U-13C; U-15N]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	DTT		5 mM
5	CaCl2		5 mM
6	NaN3		0.02 % w/v
7	D2O		5 % v/v

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
8	MW2441	[U-5% C13; U-99% N15]	0.4 mM
9	MES		20 mM
10	NaCl		100 mM
11	DTT		10 mM
12	CaCl2		5 mM
13	NaN3		0.02 % w/v
14	D2O		5 % v/v

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
15	MW2441	[U-13C; U-15N]	1 mM
16	MES		20 mM
17	NaCl		100 mM
18	DTT		10 mM
19	CaCl2		5 mM
20	NaN3		0.02 % w/v
21	D2O		99 % v/v

7 HCCH-COSY

Instrument

Model Varian Varian (600 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	MW2441	[U-13C; U-15N]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	DTT		5 mM
5	CaCl2		5 mM
6	NaN3		0.02 % w/v
7	D2O		5 % v/v

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
8	MW2441	[U-5% C13; U-99% N15]	0.4 mM
9	MES		20 mM
10	NaCl		100 mM
11	DTT		10 mM
12	CaCl2		5 mM
13	NaN3		0.02 % w/v
14	D2O		5 % v/v

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
15	MW2441	[U-13C; U-15N]	1 mM
16	MES		20 mM
17	NaCl		100 mM
18	DTT		10 mM
19	CaCl2		5 mM
20	NaN3		0.02 % w/v
21	D2O		99 % v/v

8 HCC-TOCSY-NNH

Instrument

Model Varian Varian (600 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	MW2441	[U-13C; U-15N]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	DTT		5 mM
5	CaCl2		5 mM
6	NaN3		0.02 % w/v
7	D2O		5 % v/v

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
8	MW2441	[U-5% C13; U-99% N15]	0.4 mM
9	MES		20 mM
10	NaCl		100 mM
11	DTT		10 mM
12	CaCl2		5 mM
13	NaN3		0.02 % w/v
14	D2O		5 % v/v

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
15	MW2441	[U-13C; U-15N]	1 mM
16	MES		20 mM
17	NaCl		100 mM
18	DTT		10 mM
19	CaCl2		5 mM
20	NaN3		0.02 % w/v
21	D2O		99 % v/v

9 CCC-TOCSY-NNH

Instrument

Model Varian Varian (600 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	MW2441	[U-13C; U-15N]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	DTT		5 mM
5	CaCl2		5 mM
6	NaN3		0.02 % w/v
7	D2O		5 % v/v

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
8	MW2441	[U-5% C13; U-99% N15]	0.4 mM
9	MES		20 mM
10	NaCl		100 mM
11	DTT		10 mM
12	CaCl2		5 mM
13	NaN3		0.02 % w/v
14	D2O		5 % v/v

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
15	MW2441	[U-13C; U-15N]	1 mM
16	MES		20 mM
17	NaCl		100 mM
18	DTT		10 mM
19	CaCl2		5 mM
20	NaN3		0.02 % w/v
21	D2O		99 % v/v

10 HBCBCGCDHD-Aro

Instrument

Model Varian Varian (600 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	MW2441	[U-13C; U-15N]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	DTT		5 mM
5	CaCl2		5 mM
6	NaN3		0.02 % w/v
7	D2O		5 % v/v

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
8	MW2441	[U-5% C13; U-99% N15]	0.4 mM
9	MES		20 mM
10	NaCl		100 mM
11	DTT		10 mM
12	CaCl2		5 mM
13	NaN3		0.02 % w/v
14	D2O		5 % v/v

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
15	MW2441	[U-13C; U-15N]	1 mM
16	MES		20 mM
17	NaCl		100 mM
18	DTT		10 mM
19	CaCl2		5 mM
20	NaN3		0.02 % w/v
21	D2O		99 % v/v

11 HBCBCGCDCEHE-Aro

Instrument

Model Varian Varian (600 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	MW2441	[U-13C; U-15N]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	DTT		5 mM
5	CaCl2		5 mM
6	NaN3		0.02 % w/v
7	D2O		5 % v/v

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
8	MW2441	[U-5% C13; U-99% N15]	0.4 mM
9	MES		20 mM
10	NaCl		100 mM
11	DTT		10 mM
12	CaCl2		5 mM
13	NaN3		0.02 % w/v
14	D2O		5 % v/v

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
15	MW2441	[U-13C; U-15N]	1 mM
16	MES		20 mM
17	NaCl		100 mM
18	DTT		10 mM
19	CaCl2		5 mM
20	NaN3		0.02 % w/v
21	D2O		99 % v/v

12 13C-HSQC (arom)

Instrument

Model Varian Varian (600 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	MW2441	[U-13C; U-15N]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	DTT		5 mM
5	CaCl2		5 mM
6	NaN3		0.02 % w/v
7	D2O		5 % v/v

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
8	MW2441	[U-5% C13; U-99% N15]	0.4 mM
9	MES		20 mM
10	NaCl		100 mM
11	DTT		10 mM
12	CaCl2		5 mM
13	NaN3		0.02 % w/v
14	D2O		5 % v/v

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
15	MW2441	[U-13C; U-15N]	1 mM
16	MES		20 mM
17	NaCl		100 mM
18	DTT		10 mM
19	CaCl2		5 mM
20	NaN3		0.02 % w/v
21	D2O		99 % v/v

13 13C-HSQC (alpha)

Instrument

Model Varian Varian (600 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	MW2441	[U-13C; U-15N]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	DTT		5 mM
5	CaCl2		5 mM
6	NaN3		0.02 % w/v
7	D2O		5 % v/v

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
8	MW2441	[U-5% C13; U-99% N15]	0.4 mM
9	MES		20 mM
10	NaCl		100 mM
11	DTT		10 mM
12	CaCl2		5 mM
13	NaN3		0.02 % w/v
14	D2O		5 % v/v

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
15	MW2441	[U-13C; U-15N]	1 mM
16	MES		20 mM
17	NaCl		100 mM
18	DTT		10 mM
19	CaCl2		5 mM
20	NaN3		0.02 % w/v
21	D2O		99 % v/v

14 HNHA

Instrument

Model Varian Varian (600 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
1	MW2441	[U-13C; U-15N]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	DTT		5 mM
5	CaCl2		5 mM
6	NaN3		0.02 % w/v
7	D2O		5 % v/v

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
8	MW2441	[U-5% C13; U-99% N15]	0.4 mM
9	MES		20 mM
10	NaCl		100 mM
11	DTT		10 mM
12	CaCl2		5 mM
13	NaN3		0.02 % w/v
14	D2O		5 % v/v

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Concentration
15	MW2441	[U-13C; U-15N]	1 mM
16	MES		20 mM
17	NaCl		100 mM
18	DTT		10 mM
19	CaCl2		5 mM
20	NaN3		0.02 % w/v
21	D2O		99 % v/v

nullKeywords MW2441, SA2309, GCN5-related N-acetyltransferase

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Found 1 Document (1.88 seconds)

BMRB: 5845

Sample #1

Sample #2

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. MW2441 protein, : 1 : 1 : 1 : 6 entities Detail

Experiments performed 14 experiments Detail

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