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Found 1 Document (1.337 seconds)

BMRB: 17039

2L0D

Solution NMR Structure of putative cell surface protein MA_4588 (272-376 domain) from Methanosarcina acetivorans, Northeast Structural Genomics Consortium Target MvR254A

Authors

Cort, J.R., Lee, D., Ciccosanti, C., Janjua, H., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Ramelot, T.A., Kennedy, M.A.

Assembly

MvR254A

Entity

1. MvR254A (polymer, Thiol state: not present), 114 monomers, 12291.24 Da Detail

MIPDLVPVSL TPVTVVPNTV NTMTATIENQ GNKDSTSFNV SLLVDGIVVD TQTVTSLESE NSTNVDFHWT LDGTANSYTL TVNVDPENAV NEGNESNNTL TALVGTLEHH HHHH

Formula weight

12291.24 Da

Source organism

Methanosarcina acetivorans

Exptl. method

solution NMR

Refine. method

molecular dynamics and simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 95.6 %, Completeness: 92.4 %, Completeness (bb): 93.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.4 % (1131 of 1224)	93.0 % (570 of 613)	91.1 % (442 of 485)	94.4 % (119 of 126)
Backbone	93.6 % (631 of 674)	94.3 % (215 of 228)	93.2 % (314 of 337)	93.6 % (102 of 109)
Sidechain	91.7 % (604 of 659)	92.2 % (355 of 385)	90.3 % (232 of 257)	100.0 % (17 of 17)
Aromatic	41.2 % (28 of 68)	41.2 % (14 of 34)	39.4 % (13 of 33)	100.0 % (1 of 1)
Methyl	100.0 % (160 of 160)	100.0 % (80 of 80)	100.0 % (80 of 80)

1. MvR254A

MIPDLVPVSL TPVTVVPNTV NTMTATIENQ GNKDSTSFNV SLLVDGIVVD TQTVTSLESE NSTNVDFHWT LDGTANSYTL TVNVDPENAV NEGNESNNTL TALVGTLEHH HHHH

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details 1.1 mM [U-100% 13C; U-100% 15N] MvR254A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	MvR254A	[U-100% 13C; U-100% 15N]	1.1 mM
2	NaCl	natural abundance	100 mM
3	MES	natural abundance	20 mM
4	CaCl2	natural abundance	5 mM
5	NaN3	natural abundance	0.05 %
6	H2O	natural abundance	95 %
7	D2O	natural abundance	5 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details 1.1 mM [U-100% 13C; U-100% 15N] MvR254A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
8	MvR254A	[U-100% 13C; U-100% 15N]	1.1 mM
9	NaCl	natural abundance	100 mM
10	MES	natural abundance	20 mM
11	CaCl2	natural abundance	5 mM
12	NaN3	natural abundance	0.05 %
13	D2O	natural abundance	100 %

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details 1.1 mM [5% biosynthetially-directed 13C; U-100% 15N] MvR254A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
14	MvR254A	[5% biosynthetically-directed 13C; U-100% 15N]	1.1 mM
15	NaCl	natural abundance	100 mM
16	MES	natural abundance	20 mM
17	CaCl2	natural abundance	5 mM
18	NaN3	natural abundance	0.05 %
19	H2O	natural abundance	95 %
20	D2O	natural abundance	5 %

LACS Plot; CA

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

Referencing offset: 0.16 ppm, Outliers: 3 Detail

LACS Plot; CB

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

Referencing offset: 0.16 ppm, Outliers: 3 Detail

LACS Plot; HA

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

Referencing offset: -0.15 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 1.07 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2L0D, Strand ID: A Detail

Release date

2012-08-01

Related entities 1. MvR254A, : 1 : 2 entities Detail

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details 1.1 mM [U-100% 13C; U-100% 15N] MvR254A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	MvR254A	[U-100% 13C; U-100% 15N]	1.1 mM
2	NaCl	natural abundance	100 mM
3	MES	natural abundance	20 mM
4	CaCl2	natural abundance	5 mM
5	NaN3	natural abundance	0.05 %
6	H2O	natural abundance	95 %
7	D2O	natural abundance	5 %

2 2D 1H-13C HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details 1.1 mM [U-100% 13C; U-100% 15N] MvR254A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	MvR254A	[U-100% 13C; U-100% 15N]	1.1 mM
2	NaCl	natural abundance	100 mM
3	MES	natural abundance	20 mM
4	CaCl2	natural abundance	5 mM
5	NaN3	natural abundance	0.05 %
6	H2O	natural abundance	95 %
7	D2O	natural abundance	5 %

3 3D HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details 1.1 mM [U-100% 13C; U-100% 15N] MvR254A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	MvR254A	[U-100% 13C; U-100% 15N]	1.1 mM
2	NaCl	natural abundance	100 mM
3	MES	natural abundance	20 mM
4	CaCl2	natural abundance	5 mM
5	NaN3	natural abundance	0.05 %
6	H2O	natural abundance	95 %
7	D2O	natural abundance	5 %

4 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details 1.1 mM [U-100% 13C; U-100% 15N] MvR254A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	MvR254A	[U-100% 13C; U-100% 15N]	1.1 mM
2	NaCl	natural abundance	100 mM
3	MES	natural abundance	20 mM
4	CaCl2	natural abundance	5 mM
5	NaN3	natural abundance	0.05 %
6	H2O	natural abundance	95 %
7	D2O	natural abundance	5 %

5 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details 1.1 mM [U-100% 13C; U-100% 15N] MvR254A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	MvR254A	[U-100% 13C; U-100% 15N]	1.1 mM
2	NaCl	natural abundance	100 mM
3	MES	natural abundance	20 mM
4	CaCl2	natural abundance	5 mM
5	NaN3	natural abundance	0.05 %
6	H2O	natural abundance	95 %
7	D2O	natural abundance	5 %

6 3D 1H-13C arom NOESY

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details 1.1 mM [U-100% 13C; U-100% 15N] MvR254A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	MvR254A	[U-100% 13C; U-100% 15N]	1.1 mM
2	NaCl	natural abundance	100 mM
3	MES	natural abundance	20 mM
4	CaCl2	natural abundance	5 mM
5	NaN3	natural abundance	0.05 %
6	H2O	natural abundance	95 %
7	D2O	natural abundance	5 %

7 3D 1H-13C aliph NOESY

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details 1.1 mM [U-100% 13C; U-100% 15N] MvR254A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	MvR254A	[U-100% 13C; U-100% 15N]	1.1 mM
2	NaCl	natural abundance	100 mM
3	MES	natural abundance	20 mM
4	CaCl2	natural abundance	5 mM
5	NaN3	natural abundance	0.05 %
6	H2O	natural abundance	95 %
7	D2O	natural abundance	5 %

8 3D 1H-15N NOESY

Instrument

Varian INOVA - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details 1.1 mM [U-100% 13C; U-100% 15N] MvR254A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	MvR254A	[U-100% 13C; U-100% 15N]	1.1 mM
2	NaCl	natural abundance	100 mM
3	MES	natural abundance	20 mM
4	CaCl2	natural abundance	5 mM
5	NaN3	natural abundance	0.05 %
6	H2O	natural abundance	95 %
7	D2O	natural abundance	5 %

9 4D 1H-13C-13C-1H HMQC-NOESY-HMQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details 1.1 mM [U-100% 13C; U-100% 15N] MvR254A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
8	MvR254A	[U-100% 13C; U-100% 15N]	1.1 mM
9	NaCl	natural abundance	100 mM
10	MES	natural abundance	20 mM
11	CaCl2	natural abundance	5 mM
12	NaN3	natural abundance	0.05 %
13	D2O	natural abundance	100 %

10 3D HBHA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details 1.1 mM [U-100% 13C; U-100% 15N] MvR254A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	MvR254A	[U-100% 13C; U-100% 15N]	1.1 mM
2	NaCl	natural abundance	100 mM
3	MES	natural abundance	20 mM
4	CaCl2	natural abundance	5 mM
5	NaN3	natural abundance	0.05 %
6	H2O	natural abundance	95 %
7	D2O	natural abundance	5 %

11 3D HCCH-TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details 1.1 mM [U-100% 13C; U-100% 15N] MvR254A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	MvR254A	[U-100% 13C; U-100% 15N]	1.1 mM
2	NaCl	natural abundance	100 mM
3	MES	natural abundance	20 mM
4	CaCl2	natural abundance	5 mM
5	NaN3	natural abundance	0.05 %
6	H2O	natural abundance	95 %
7	D2O	natural abundance	5 %

12 3D C(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details 1.1 mM [U-100% 13C; U-100% 15N] MvR254A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	MvR254A	[U-100% 13C; U-100% 15N]	1.1 mM
2	NaCl	natural abundance	100 mM
3	MES	natural abundance	20 mM
4	CaCl2	natural abundance	5 mM
5	NaN3	natural abundance	0.05 %
6	H2O	natural abundance	95 %
7	D2O	natural abundance	5 %

13 2D 1H-13C HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5, Details 1.1 mM [5% biosynthetially-directed 13C; U-100% 15N] MvR254A, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
14	MvR254A	[5% biosynthetically-directed 13C; U-100% 15N]	1.1 mM
15	NaCl	natural abundance	100 mM
16	MES	natural abundance	20 mM
17	CaCl2	natural abundance	5 mM
18	NaN3	natural abundance	0.05 %
19	H2O	natural abundance	95 %
20	D2O	natural abundance	5 %

nullKeywords NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG), Protein NMR, Protein Structure Initiative, PSI-2, Structural Genomics, Target MvR254A

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Found 1 Document (1.337 seconds)

BMRB: 17039

Sample #1

Sample #2

Sample #3

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. MvR254A, : 1 : 2 entities Detail

Experiments performed 13 experiments Detail

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