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Found 1 Document (1.607 seconds)

BMRB: 6800

2GG1

NMR solution structure and backbone dynamics of tick-borne E-protein domain III Langat flavivirus

Authors

Mukherjee, M., Dutta, K., Fox, R.O.

Assembly

Domain III of the E protein of Langat flavivirus

Entity

1. Domain III of the E protein of Langat flavivirus (polymer, Thiol state: all disulfide bound), 102 monomers, 11164.57 Da Detail

GSEFGSKGLT YTVCDKTKFT WKRAPTDSGH DTVVMEVGFS GTRPCRIPVR AVAHGVPEVN VAMLITPNPT MENNGGGFIE MQLPPGDNII YVGDLNHQWF QK

Formula weight

11164.57 Da

Entity Connection

disulfide 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS14:SG	1:CYS45:SG

Source organism

Langat virus

Exptl. method

NMR

Refine. method

distance geometry

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.0 %, Completeness: 83.8 %, Completeness (bb): 96.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	83.8 % (971 of 1159)	80.7 % (484 of 600)	84.6 % (384 of 454)	98.1 % (103 of 105)
Backbone	96.8 % (577 of 596)	97.6 % (203 of 208)	95.6 % (281 of 294)	98.9 % (93 of 94)
Sidechain	73.8 % (482 of 653)	71.7 % (281 of 392)	76.4 % (191 of 250)	90.9 % (10 of 11)
Aromatic	27.5 % (28 of 102)	27.5 % (14 of 51)	24.5 % (12 of 49)	100.0 % (2 of 2)
Methyl	81.4 % (83 of 102)	82.4 % (42 of 51)	80.4 % (41 of 51)

1. Langat E-D3

GSEFGSKGLT YTVCDKTKFT WKRAPTDSGH DTVVMEVGFS GTRPCRIPVR AVAHGVPEVN VAMLITPNPT MENNGGGFIE MQLPPGDNII YVGDLNHQWF QK

Show sample condition

Sample

Temperature 298 (±0.1) K, pH 6.1 (±0.1)

#	Name	Isotope labeling	Concentration
1	Langat E-D3	[U-100% 13C; U-100% 15N]	0.7 mM
2	Tris		10 mM
3	Bis-Tris		50 mM
4	NaCL		10 mM

LACS Plot; CA

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

Referencing offset: -0.1 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.1 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.08 ppm, Outliers: 6 Detail

LACS Plot; CO

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

Referencing offset: 0.45 ppm, Outliers: 4 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2GG1, Strand ID: A Detail

Release date

2005-08-29

Citation

NMR solution structure and backbone dynamics of domain III of the E protein of tick-borne Langat flavivirus suggests a potential site for molecular recognition
Mukherjee, M., Dutta, K., White, M.A., Cowburn, D., Fox, R.O.
Protein Sci. (2006), 15, 1342-1355, PubMed 16731969 , DOI 10.1110/ps.051844006 , Abstract

Related entities 1. Domain III of the E protein of Langat flavivirus, : 1 : 3 : 128 entities Detail

Experiments performed 12 experiments Detail

1 15N-HSQC

Instrument

Model Varian INOVA (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 6.1 (±0.1)

#	Name	Isotope labeling	Concentration
1	Langat E-D3	[U-100% 13C; U-100% 15N]	0.7 mM
2	Tris		10 mM
3	Bis-Tris		50 mM
4	NaCL		10 mM

Sample #2

Temperature 298 (±0.1) K, pH 6.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	Langat E-D3	[U-99% 15N]		0.8 mM

2 13C-HSQC

Instrument

Model Varian INOVA (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 6.1 (±0.1)

#	Name	Isotope labeling	Concentration
1	Langat E-D3	[U-100% 13C; U-100% 15N]	0.7 mM
2	Tris		10 mM
3	Bis-Tris		50 mM
4	NaCL		10 mM

Sample #2

Temperature 298 (±0.1) K, pH 6.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	Langat E-D3	[U-99% 15N]		0.8 mM

3 HNCO

Instrument

Model Varian INOVA (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 6.1 (±0.1)

#	Name	Isotope labeling	Concentration
1	Langat E-D3	[U-100% 13C; U-100% 15N]	0.7 mM
2	Tris		10 mM
3	Bis-Tris		50 mM
4	NaCL		10 mM

Sample #2

Temperature 298 (±0.1) K, pH 6.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	Langat E-D3	[U-99% 15N]		0.8 mM

4 CBCACONH

Instrument

Model Varian INOVA (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 6.1 (±0.1)

#	Name	Isotope labeling	Concentration
1	Langat E-D3	[U-100% 13C; U-100% 15N]	0.7 mM
2	Tris		10 mM
3	Bis-Tris		50 mM
4	NaCL		10 mM

Sample #2

Temperature 298 (±0.1) K, pH 6.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	Langat E-D3	[U-99% 15N]		0.8 mM

5 HNCACB

Instrument

Model Varian INOVA (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 6.1 (±0.1)

#	Name	Isotope labeling	Concentration
1	Langat E-D3	[U-100% 13C; U-100% 15N]	0.7 mM
2	Tris		10 mM
3	Bis-Tris		50 mM
4	NaCL		10 mM

Sample #2

Temperature 298 (±0.1) K, pH 6.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	Langat E-D3	[U-99% 15N]		0.8 mM

6 C(C0)NH

Instrument

Model Varian INOVA (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 6.1 (±0.1)

#	Name	Isotope labeling	Concentration
1	Langat E-D3	[U-100% 13C; U-100% 15N]	0.7 mM
2	Tris		10 mM
3	Bis-Tris		50 mM
4	NaCL		10 mM

Sample #2

Temperature 298 (±0.1) K, pH 6.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	Langat E-D3	[U-99% 15N]		0.8 mM

7 HBHACONH

Instrument

Model Varian INOVA (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 6.1 (±0.1)

#	Name	Isotope labeling	Concentration
1	Langat E-D3	[U-100% 13C; U-100% 15N]	0.7 mM
2	Tris		10 mM
3	Bis-Tris		50 mM
4	NaCL		10 mM

Sample #2

Temperature 298 (±0.1) K, pH 6.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	Langat E-D3	[U-99% 15N]		0.8 mM

8 HC(CO)NH

Instrument

Model Varian INOVA (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 6.1 (±0.1)

#	Name	Isotope labeling	Concentration
1	Langat E-D3	[U-100% 13C; U-100% 15N]	0.7 mM
2	Tris		10 mM
3	Bis-Tris		50 mM
4	NaCL		10 mM

Sample #2

Temperature 298 (±0.1) K, pH 6.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	Langat E-D3	[U-99% 15N]		0.8 mM

9 HCCH-TOCSY

Instrument

Model Varian INOVA (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 6.1 (±0.1)

#	Name	Isotope labeling	Concentration
1	Langat E-D3	[U-100% 13C; U-100% 15N]	0.7 mM
2	Tris		10 mM
3	Bis-Tris		50 mM
4	NaCL		10 mM

Sample #2

Temperature 298 (±0.1) K, pH 6.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	Langat E-D3	[U-99% 15N]		0.8 mM

10 N15-NOESY-HSQC

Instrument

Model Varian INOVA (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 6.1 (±0.1)

#	Name	Isotope labeling	Concentration
1	Langat E-D3	[U-100% 13C; U-100% 15N]	0.7 mM
2	Tris		10 mM
3	Bis-Tris		50 mM
4	NaCL		10 mM

Sample #2

Temperature 298 (±0.1) K, pH 6.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	Langat E-D3	[U-99% 15N]		0.8 mM

11 N15-TOCSY-HSQC

Instrument

Model Varian INOVA (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 6.1 (±0.1)

#	Name	Isotope labeling	Concentration
1	Langat E-D3	[U-100% 13C; U-100% 15N]	0.7 mM
2	Tris		10 mM
3	Bis-Tris		50 mM
4	NaCL		10 mM

Sample #2

Temperature 298 (±0.1) K, pH 6.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	Langat E-D3	[U-99% 15N]		0.8 mM

12 C13-NOESY-HSQC

Instrument

Model Varian INOVA (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 6.1 (±0.1)

#	Name	Isotope labeling	Concentration
1	Langat E-D3	[U-100% 13C; U-100% 15N]	0.7 mM
2	Tris		10 mM
3	Bis-Tris		50 mM
4	NaCL		10 mM

Sample #2

Temperature 298 (±0.1) K, pH 6.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	Langat E-D3	[U-99% 15N]		0.8 mM

nullKeywords Domain III, Flavivirus, Langat, NMR

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Found 1 Document (1.607 seconds)

BMRB: 6800

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Domain III of the E protein of Langat flavivirus, : 1 : 3 : 128 entities Detail

Experiments performed 12 experiments Detail

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