BMRBj - BMREntryMaster

Found 1 Document (1.621 seconds)

BMRB: 7260

2HGC

Solution NMR structure of the YjcQ protein from Bacillus subtilis. Northeast Structural Genomics target SR346. (CASP Target)

Authors

Rossi, P., Cort, J.R., Ho, C.K., Janjua, H., Cunningham, K., Ma, L., Xiao, R., Liu, J., Baran, M., Swapna, G.V.T., Acton, T.B., Rost, B., Kennedy, M.A., Montelione, G.T.

Assembly

YjcQ protein

Entity

1. YjcQ protein (polymer, Thiol state: not present), 102 monomers, 12091.39 Da Detail

MNKDKLRYAI LKEIFEGNTP LSENDIGVTE DQFDDAVNFL KREGYIIGVH YSDDRPHLYK LGPELTEKGE NYLKENGTWS KAYKTIKEIK DWIKLEHHHH HH

Formula weight

12091.39 Da

Source organism

Bacillus subtilis

Exptl. method

NMR

Refine. method

Noesy assignments made with iterative method using CS, 3J, Hyper (dihedral), and Dyana for simulated annealing MD. Converged structures are further refined using NIH-xplor followed by CNS in explicit water shell (Nielges) . Full lenght sequence was carried through the refinement protocol, the disordered regions and hexHIS tag are not reported.

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 88.2 %, Completeness: 75.3 %, Completeness (bb): 80.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	75.3 % (943 of 1252)	73.5 % (482 of 656)	76.4 % (373 of 488)	81.5 % (88 of 108)
Backbone	80.4 % (487 of 606)	80.8 % (168 of 208)	80.3 % (240 of 299)	79.8 % (79 of 99)
Sidechain	72.2 % (535 of 741)	70.1 % (314 of 448)	74.6 % (212 of 284)	100.0 % (9 of 9)
Aromatic	74.6 % (100 of 134)	74.6 % (50 of 67)	73.8 % (48 of 65)	100.0 % (2 of 2)
Methyl	91.7 % (88 of 96)	91.7 % (44 of 48)	91.7 % (44 of 48)

1. YjcQ protein

MNKDKLRYAI LKEIFEGNTP LSENDIGVTE DQFDDAVNFL KREGYIIGVH YSDDRPHLYK LGPELTEKGE NYLKENGTWS KAYKTIKEIK DWIKLEHHHH HH

Show sample condition

Sample

Pressure 1 atm, Temperature 293 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	YjcQ protein	[U-13C; U-15N]	0.85 mM
2	CaCl2		5 mM
3	NaCl		100 mM
4	NH4OAc		20 mM
5	DTT		10 mM
6	NaN3		0.02 %
7	D2O		5 %
8	H2O		95 %

LACS Plot; CA

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

Referencing offset: 0.11 ppm, Outliers: 4 Detail

LACS Plot; CB

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

Referencing offset: 0.11 ppm, Outliers: 4 Detail

LACS Plot; HA

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

Referencing offset: 0.07 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: -0.15 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2HGC, Strand ID: A Detail

Release date

2007-01-31

Citation

Solution NMR structure of the YjcQ protein from Bacillus subtilis. Northeast Structural Genomics target SR346. (CASP Target)
Rossi, P., Cort, J.R., Ho, C.K., Janjua, H., Cunningham, K., Ma, L., Xiao, R., Liu, J., Baran, M., Swapna, G.V.T., Acton, T.B., Rost, B., Kennedy, M.A., Montelione, G.T.

Related entities 1. YjcQ protein, : 1 : 1 : 38 entities Detail

Experiments performed 12 experiments Detail

1 3D 13C-separated NOESY

Instrument

Model Varian INOVA (750 MHz)

Sample #1

Pressure 1 atm, Temperature 293 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	YjcQ protein	[U-13C; U-15N]	0.85 mM
2	CaCl2		5 mM
3	NaCl		100 mM
4	NH4OAc		20 mM
5	DTT		10 mM
6	NaN3		0.02 %
7	D2O		5 %
8	H2O		95 %

Sample #2

Pressure 1 atm, Temperature 293 K, pH 5.5

#	Name	Isotope labeling	Concentration
9	YjcQ protein	[U-5% 13C; U-15N]	0.77 mM
10	CaCl2		5 mM
11	NaCl		100 mM
12	NH4OAc		20 mM
13	DTT		10 mM
14	NaN3		0.02 %
15	D2O		5 %
16	H2O		95 %

2 3D 15N-separated NOESY

Instrument

Model Varian INOVA (750 MHz)

Sample #1

Pressure 1 atm, Temperature 293 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	YjcQ protein	[U-13C; U-15N]	0.85 mM
2	CaCl2		5 mM
3	NaCl		100 mM
4	NH4OAc		20 mM
5	DTT		10 mM
6	NaN3		0.02 %
7	D2O		5 %
8	H2O		95 %

Sample #2

Pressure 1 atm, Temperature 293 K, pH 5.5

#	Name	Isotope labeling	Concentration
9	YjcQ protein	[U-5% 13C; U-15N]	0.77 mM
10	CaCl2		5 mM
11	NaCl		100 mM
12	NH4OAc		20 mM
13	DTT		10 mM
14	NaN3		0.02 %
15	D2O		5 %
16	H2O		95 %

3 HcCH-TOCSY

Instrument

Model Varian INOVA (750 MHz)

Sample #1

Pressure 1 atm, Temperature 293 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	YjcQ protein	[U-13C; U-15N]	0.85 mM
2	CaCl2		5 mM
3	NaCl		100 mM
4	NH4OAc		20 mM
5	DTT		10 mM
6	NaN3		0.02 %
7	D2O		5 %
8	H2O		95 %

Sample #2

Pressure 1 atm, Temperature 293 K, pH 5.5

#	Name	Isotope labeling	Concentration
9	YjcQ protein	[U-5% 13C; U-15N]	0.77 mM
10	CaCl2		5 mM
11	NaCl		100 mM
12	NH4OAc		20 mM
13	DTT		10 mM
14	NaN3		0.02 %
15	D2O		5 %
16	H2O		95 %

4 HcCH-COSY

Instrument

Model Varian INOVA (750 MHz)

Sample #1

Pressure 1 atm, Temperature 293 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	YjcQ protein	[U-13C; U-15N]	0.85 mM
2	CaCl2		5 mM
3	NaCl		100 mM
4	NH4OAc		20 mM
5	DTT		10 mM
6	NaN3		0.02 %
7	D2O		5 %
8	H2O		95 %

Sample #2

Pressure 1 atm, Temperature 293 K, pH 5.5

#	Name	Isotope labeling	Concentration
9	YjcQ protein	[U-5% 13C; U-15N]	0.77 mM
10	CaCl2		5 mM
11	NaCl		100 mM
12	NH4OAc		20 mM
13	DTT		10 mM
14	NaN3		0.02 %
15	D2O		5 %
16	H2O		95 %

5 CccoNH-TOCSY

Instrument

Model Varian INOVA (750 MHz)

Sample #1

Pressure 1 atm, Temperature 293 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	YjcQ protein	[U-13C; U-15N]	0.85 mM
2	CaCl2		5 mM
3	NaCl		100 mM
4	NH4OAc		20 mM
5	DTT		10 mM
6	NaN3		0.02 %
7	D2O		5 %
8	H2O		95 %

Sample #2

Pressure 1 atm, Temperature 293 K, pH 5.5

#	Name	Isotope labeling	Concentration
9	YjcQ protein	[U-5% 13C; U-15N]	0.77 mM
10	CaCl2		5 mM
11	NaCl		100 mM
12	NH4OAc		20 mM
13	DTT		10 mM
14	NaN3		0.02 %
15	D2O		5 %
16	H2O		95 %

6 3D-HNCACB

Instrument

Model Varian INOVA (750 MHz)

Sample #1

Pressure 1 atm, Temperature 293 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	YjcQ protein	[U-13C; U-15N]	0.85 mM
2	CaCl2		5 mM
3	NaCl		100 mM
4	NH4OAc		20 mM
5	DTT		10 mM
6	NaN3		0.02 %
7	D2O		5 %
8	H2O		95 %

Sample #2

Pressure 1 atm, Temperature 293 K, pH 5.5

#	Name	Isotope labeling	Concentration
9	YjcQ protein	[U-5% 13C; U-15N]	0.77 mM
10	CaCl2		5 mM
11	NaCl		100 mM
12	NH4OAc		20 mM
13	DTT		10 mM
14	NaN3		0.02 %
15	D2O		5 %
16	H2O		95 %

7 HNcoCACB

Instrument

Model Varian INOVA (750 MHz)

Sample #1

Pressure 1 atm, Temperature 293 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	YjcQ protein	[U-13C; U-15N]	0.85 mM
2	CaCl2		5 mM
3	NaCl		100 mM
4	NH4OAc		20 mM
5	DTT		10 mM
6	NaN3		0.02 %
7	D2O		5 %
8	H2O		95 %

Sample #2

Pressure 1 atm, Temperature 293 K, pH 5.5

#	Name	Isotope labeling	Concentration
9	YjcQ protein	[U-5% 13C; U-15N]	0.77 mM
10	CaCl2		5 mM
11	NaCl		100 mM
12	NH4OAc		20 mM
13	DTT		10 mM
14	NaN3		0.02 %
15	D2O		5 %
16	H2O		95 %

8 HBHAcoNH

Instrument

Model Varian INOVA (750 MHz)

Sample #1

Pressure 1 atm, Temperature 293 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	YjcQ protein	[U-13C; U-15N]	0.85 mM
2	CaCl2		5 mM
3	NaCl		100 mM
4	NH4OAc		20 mM
5	DTT		10 mM
6	NaN3		0.02 %
7	D2O		5 %
8	H2O		95 %

Sample #2

Pressure 1 atm, Temperature 293 K, pH 5.5

#	Name	Isotope labeling	Concentration
9	YjcQ protein	[U-5% 13C; U-15N]	0.77 mM
10	CaCl2		5 mM
11	NaCl		100 mM
12	NH4OAc		20 mM
13	DTT		10 mM
14	NaN3		0.02 %
15	D2O		5 %
16	H2O		95 %

9 HNCO

Instrument

Model Varian INOVA (750 MHz)

Sample #1

Pressure 1 atm, Temperature 293 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	YjcQ protein	[U-13C; U-15N]	0.85 mM
2	CaCl2		5 mM
3	NaCl		100 mM
4	NH4OAc		20 mM
5	DTT		10 mM
6	NaN3		0.02 %
7	D2O		5 %
8	H2O		95 %

Sample #2

Pressure 1 atm, Temperature 293 K, pH 5.5

#	Name	Isotope labeling	Concentration
9	YjcQ protein	[U-5% 13C; U-15N]	0.77 mM
10	CaCl2		5 mM
11	NaCl		100 mM
12	NH4OAc		20 mM
13	DTT		10 mM
14	NaN3		0.02 %
15	D2O		5 %
16	H2O		95 %

10 13C HSQC noct Stereospecific VL Me assign.

Instrument

Model Varian INOVA (750 MHz)

Sample #1

Pressure 1 atm, Temperature 293 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	YjcQ protein	[U-13C; U-15N]	0.85 mM
2	CaCl2		5 mM
3	NaCl		100 mM
4	NH4OAc		20 mM
5	DTT		10 mM
6	NaN3		0.02 %
7	D2O		5 %
8	H2O		95 %

Sample #2

Pressure 1 atm, Temperature 293 K, pH 5.5

#	Name	Isotope labeling	Concentration
9	YjcQ protein	[U-5% 13C; U-15N]	0.77 mM
10	CaCl2		5 mM
11	NaCl		100 mM
12	NH4OAc		20 mM
13	DTT		10 mM
14	NaN3		0.02 %
15	D2O		5 %
16	H2O		95 %

11 Het-NOE

Instrument

Model Varian INOVA (750 MHz)

Sample #1

Pressure 1 atm, Temperature 293 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	YjcQ protein	[U-13C; U-15N]	0.85 mM
2	CaCl2		5 mM
3	NaCl		100 mM
4	NH4OAc		20 mM
5	DTT		10 mM
6	NaN3		0.02 %
7	D2O		5 %
8	H2O		95 %

Sample #2

Pressure 1 atm, Temperature 293 K, pH 5.5

#	Name	Isotope labeling	Concentration
9	YjcQ protein	[U-5% 13C; U-15N]	0.77 mM
10	CaCl2		5 mM
11	NaCl		100 mM
12	NH4OAc		20 mM
13	DTT		10 mM
14	NaN3		0.02 %
15	D2O		5 %
16	H2O		95 %

12 T1/T1rho

Instrument

Model Varian INOVA (750 MHz)

Sample #1

Pressure 1 atm, Temperature 293 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	YjcQ protein	[U-13C; U-15N]	0.85 mM
2	CaCl2		5 mM
3	NaCl		100 mM
4	NH4OAc		20 mM
5	DTT		10 mM
6	NaN3		0.02 %
7	D2O		5 %
8	H2O		95 %

Sample #2

Pressure 1 atm, Temperature 293 K, pH 5.5

#	Name	Isotope labeling	Concentration
9	YjcQ protein	[U-5% 13C; U-15N]	0.77 mM
10	CaCl2		5 mM
11	NaCl		100 mM
12	NH4OAc		20 mM
13	DTT		10 mM
14	NaN3		0.02 %
15	D2O		5 %
16	H2O		95 %

nullKeywords AutoStructure, NESG, NMR structure, Northeast Structural Genomics Consortium, Protein Structure Initiative, PSI-2, SR346

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Found 1 Document (1.621 seconds)

BMRB: 7260

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. YjcQ protein, : 1 : 1 : 38 entities Detail

Experiments performed 12 experiments Detail

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