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Found 1 Document (0.808 seconds)

BMRB: 19404

2MBL

Solution NMR Structure of DE NOVO DESIGNED Top7 Fold Protein Top7m13, Northeast Structural Genomics Consortium (NESG) Target OR33

Authors

Liu, G., Zanghellini, A.L., Chan, K., Xiao, R., Janjua, H., Kogan, S., Maglaqui, M., Ciccosanti, C., Acton, T.B., Kornhaber, G., Everett, J.K., Baker, D., Montelione, G.T.

Assembly

OR33 cns

Entity

1. OR33 cns (polymer, Thiol state: all disulfide bound), 120 monomers, 13857.67 Da Detail

MSGKKVEVQV KITCNGKTYE RTYQLYAVRD EELKEKLKKV LNERMDPIKK LGCKRVRISI RVKHSDAAEE KKEAKKFAAI LNKVFAELGY NDSNVTWDGD TVTVEGQLEG VDLEHHHHHH

Formula weight

13857.67 Da

Exptl. method

solution NMR

Refine. method

distance geometry, molecular dynamics, simulated annealing, torsion angle dynamics

Data set

RDCs, assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 93.3 %, Completeness: 90.8 %, Completeness (bb): 89.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.8 % (1306 of 1438)	91.7 % (692 of 755)	90.5 % (502 of 555)	87.5 % (112 of 128)
Backbone	89.1 % (640 of 718)	90.2 % (222 of 246)	89.2 % (315 of 353)	86.6 % (103 of 119)
Sidechain	92.4 % (770 of 833)	92.3 % (470 of 509)	92.4 % (291 of 315)	100.0 % (9 of 9)
Aromatic	71.7 % (66 of 92)	71.7 % (33 of 46)	71.1 % (32 of 45)	100.0 % (1 of 1)
Methyl	99.2 % (129 of 130)	98.5 % (64 of 65)	100.0 % (65 of 65)

1. OR33

MSGKKVEVQV KITCNGKTYE RTYQLYAVRD EELKEKLKKV LNERMDPIKK LGCKRVRISI RVKHSDAAEE KKEAKKFAAI LNKVFAELGY NDSNVTWDGD TVTVEGQLEG VDLEHHHHHH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.69 mM OR33.017, 90% H2O/10% D2O, Low Salt NO DTT - 0.02 % NaN3 100 mM NaCl 10 mM Tris-HCl pH 7.5

#	Name	Isotope labeling	Concentration
1	OR33	[U-100% 13C; U-100% 15N]	0.69 mM
2	NaN3	natural abundance	0.02 %
3	NaCl	natural abundance	100 mM
4	Tris-HCl	natural abundance	10 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.69 mM OR33.007, 90% H2O/10% D2O, Low Salt NO DTT - 0.02 % NaN3 100 mM NaCl 10 mM Tris-HCl pH 7.5

#	Name	Isotope labeling	Concentration
5	OR33	[U-100% 13C; U-100% 15N]	0.69 mM
6	NaN3	natural abundance	0.02 %
7	NaCl	natural abundance	100 mM
8	Tris-HCl	natural abundance	10 mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.69 mM OR33.007, 90% H2O/10% D2O, NO DTT - 0.02 % NaN3 pH 6.5

#	Name	Isotope labeling	Type	Concentration
9	OR33	[U-100% 13C; U-100% 15N]		0.69 mM
10	NaN3	natural abundance		0.02 %

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: 0.02 ppm, Outliers: 1 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: 0.02 ppm, Outliers: 1 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: -0.1 ppm, Outliers: 2 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: 0.43 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

RDC

83 RDC values in 1 lists
Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 6.5 Detail

Release date

2013-11-25

Related entities 1. OR33 cns, : 1 : 1 : 7 entities Detail

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.69 mM OR33.017, 90% H2O/10% D2O, Low Salt NO DTT - 0.02 % NaN3 100 mM NaCl 10 mM Tris-HCl pH 7.5

#	Name	Isotope labeling	Concentration
1	OR33	[U-100% 13C; U-100% 15N]	0.69 mM
2	NaN3	natural abundance	0.02 %
3	NaCl	natural abundance	100 mM
4	Tris-HCl	natural abundance	10 mM

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	OR33	[U-100% 13C; U-100% 15N]	0.69 mM
2	NaN3	natural abundance	0.02 %
3	NaCl	natural abundance	100 mM
4	Tris-HCl	natural abundance	10 mM

3 3D HNCO

Instrument

Bruker Avance - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	OR33	[U-100% 13C; U-100% 15N]	0.69 mM
2	NaN3	natural abundance	0.02 %
3	NaCl	natural abundance	100 mM
4	Tris-HCl	natural abundance	10 mM

4 3D CBCA(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	OR33	[U-100% 13C; U-100% 15N]	0.69 mM
2	NaN3	natural abundance	0.02 %
3	NaCl	natural abundance	100 mM
4	Tris-HCl	natural abundance	10 mM

5 3D HNCACB

Instrument

Bruker Avance - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	OR33	[U-100% 13C; U-100% 15N]	0.69 mM
2	NaN3	natural abundance	0.02 %
3	NaCl	natural abundance	100 mM
4	Tris-HCl	natural abundance	10 mM

6 3D 1H-13C arom NOESY

Instrument

Bruker Avance - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	OR33	[U-100% 13C; U-100% 15N]	0.69 mM
2	NaN3	natural abundance	0.02 %
3	NaCl	natural abundance	100 mM
4	Tris-HCl	natural abundance	10 mM

7 3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY

Instrument

Bruker Avance - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	OR33	[U-100% 13C; U-100% 15N]	0.69 mM
2	NaN3	natural abundance	0.02 %
3	NaCl	natural abundance	100 mM
4	Tris-HCl	natural abundance	10 mM

8 3D HCCH-TOCSY

Instrument

Bruker Avance - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	OR33	[U-100% 13C; U-100% 15N]	0.69 mM
2	NaN3	natural abundance	0.02 %
3	NaCl	natural abundance	100 mM
4	Tris-HCl	natural abundance	10 mM

9 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.69 mM OR33.007, 90% H2O/10% D2O, Low Salt NO DTT - 0.02 % NaN3 100 mM NaCl 10 mM Tris-HCl pH 7.5

#	Name	Isotope labeling	Concentration
5	OR33	[U-100% 13C; U-100% 15N]	0.69 mM
6	NaN3	natural abundance	0.02 %
7	NaCl	natural abundance	100 mM
8	Tris-HCl	natural abundance	10 mM

10 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz in UGA, for RDC measurement

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.69 mM OR33.007, 90% H2O/10% D2O, NO DTT - 0.02 % NaN3 pH 6.5

#	Name	Isotope labeling	Type	Concentration
9	OR33	[U-100% 13C; U-100% 15N]		0.69 mM
10	NaN3	natural abundance		0.02 %

nullKeywords NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG), PSI-Biology, Protein NMR, Protein Structure Initiative, Structural Genomics, Target OR33

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Found 1 Document (0.808 seconds)

BMRB: 19404

Sample #1

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. OR33 cns, : 1 : 1 : 7 entities Detail

Experiments performed 10 experiments Detail

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