BMRBj - BMREntryMaster

Found 1 Document (0.987 seconds)

BMRB: 16629

2KR7

solution structure of Helicobacter pylori SlyD

Authors

Cheng, T., Li, H., Xia, W., Sze, K., Sun, H.

Assembly

SlyD

Entity

1. SlyD (polymer, Thiol state: not present), 151 monomers, 17023.90 Da Detail

MQNHDLESIK QAALIEYEVR EQGSSIVLDS NISKEPLEFI IGTNQIIAGL EKAVLKAQIG EWEEVVIAPE EAYGVYESSY LQEVPRDQFE GIELEKGMSV FGQTEDNQTI QAIIKDFSAT HVMVDYNHPL AGKTLAFRFK VLGFREVSEE E

Formula weight

17023.9 Da

Source organism

Helicobacter pylori

Exptl. method

solution NMR

Refine. method

molecular dynamics, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 95.5 %, Completeness (bb): 98.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	95.5 % (1694 of 1774)	97.2 % (894 of 920)	93.1 % (643 of 691)	96.3 % (157 of 163)
Backbone	98.2 % (882 of 898)	97.4 % (300 of 308)	99.3 % (440 of 443)	96.6 % (142 of 147)
Sidechain	93.7 % (953 of 1017)	97.1 % (594 of 612)	88.4 % (344 of 389)	93.8 % (15 of 16)
Aromatic	57.5 % (77 of 134)	80.6 % (54 of 67)	33.3 % (22 of 66)	100.0 % (1 of 1)
Methyl	100.0 % (180 of 180)	100.0 % (90 of 90)	100.0 % (90 of 90)

1. SlyD

MQNHDLESIK QAALIEYEVR EQGSSIVLDS NISKEPLEFI IGTNQIIAGL EKAVLKAQIG EWEEVVIAPE EAYGVYESSY LQEVPRDQFE GIELEKGMSV FGQTEDNQTI QAIIKDFSAT HVMVDYNHPL AGKTLAFRFK VLGFREVSEE E

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.3 mM in 20 mM Tris buffer,100 mM NaCl,0.02% NaN3, pH 6.8

#	Name	Isotope labeling	Concentration
1	SlyD	[U-100% 13C; U-100% 15N]	1.0 ~ 1.5 mM
2	Tris buffer	natural abundance	20 mM
3	NaCl	natural abundance	100 mM
4	NaN3	natural abundance	0.02 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
7	SlyD	[U-100% 13C; U-100% 15N]		1.0 ~ 1.5 mM
8	D2O	natural abundance		100 %

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	external	direct	1.0
¹⁵N	DSS	methyl protons	external	indirect	0.1013292

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	external	indirect	0.2514495
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	methyl protons	external	indirect	0.1013292

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	external	indirect	0.2514495
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	methyl protons	external	indirect	0.1013292

Referencing offset: -0.06 ppm, Outliers: 3 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	external	direct	1.0
¹⁵N	DSS	methyl protons	external	indirect	0.1013292

Referencing offset: 0.33 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KR7, Strand ID: A Detail

Release date

2012-08-02

Citation

Structural and functional study of SlyD from helicobacter pylori
Cheng, T., Li, H., Xia, W., Sze, K., Sun, H.
J. Am. Chem. Soc.

Related entities 1. SlyD, : 1 : 1 : 32 entities Detail

Experiments performed 16 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.3 mM in 20 mM Tris buffer,100 mM NaCl,0.02% NaN3, pH 6.8

#	Name	Isotope labeling	Concentration
1	SlyD	[U-100% 13C; U-100% 15N]	1.0 ~ 1.5 mM
2	Tris buffer	natural abundance	20 mM
3	NaCl	natural abundance	100 mM
4	NaN3	natural abundance	0.02 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
7	SlyD	[U-100% 13C; U-100% 15N]		1.0 ~ 1.5 mM
8	D2O	natural abundance		100 %

3 3D CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.3 mM in 20 mM Tris buffer,100 mM NaCl,0.02% NaN3, pH 6.8

#	Name	Isotope labeling	Concentration
1	SlyD	[U-100% 13C; U-100% 15N]	1.0 ~ 1.5 mM
2	Tris buffer	natural abundance	20 mM
3	NaCl	natural abundance	100 mM
4	NaN3	natural abundance	0.02 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

4 3D HNCACB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.3 mM in 20 mM Tris buffer,100 mM NaCl,0.02% NaN3, pH 6.8

#	Name	Isotope labeling	Concentration
1	SlyD	[U-100% 13C; U-100% 15N]	1.0 ~ 1.5 mM
2	Tris buffer	natural abundance	20 mM
3	NaCl	natural abundance	100 mM
4	NaN3	natural abundance	0.02 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

5 3D HNCO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.3 mM in 20 mM Tris buffer,100 mM NaCl,0.02% NaN3, pH 6.8

#	Name	Isotope labeling	Concentration
1	SlyD	[U-100% 13C; U-100% 15N]	1.0 ~ 1.5 mM
2	Tris buffer	natural abundance	20 mM
3	NaCl	natural abundance	100 mM
4	NaN3	natural abundance	0.02 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

6 3D HN(CA)CO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.3 mM in 20 mM Tris buffer,100 mM NaCl,0.02% NaN3, pH 6.8

#	Name	Isotope labeling	Concentration
1	SlyD	[U-100% 13C; U-100% 15N]	1.0 ~ 1.5 mM
2	Tris buffer	natural abundance	20 mM
3	NaCl	natural abundance	100 mM
4	NaN3	natural abundance	0.02 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

7 3D C(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.3 mM in 20 mM Tris buffer,100 mM NaCl,0.02% NaN3, pH 6.8

#	Name	Isotope labeling	Concentration
1	SlyD	[U-100% 13C; U-100% 15N]	1.0 ~ 1.5 mM
2	Tris buffer	natural abundance	20 mM
3	NaCl	natural abundance	100 mM
4	NaN3	natural abundance	0.02 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

8 3D H(CCO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.3 mM in 20 mM Tris buffer,100 mM NaCl,0.02% NaN3, pH 6.8

#	Name	Isotope labeling	Concentration
1	SlyD	[U-100% 13C; U-100% 15N]	1.0 ~ 1.5 mM
2	Tris buffer	natural abundance	20 mM
3	NaCl	natural abundance	100 mM
4	NaN3	natural abundance	0.02 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

9 3D HNCA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.3 mM in 20 mM Tris buffer,100 mM NaCl,0.02% NaN3, pH 6.8

#	Name	Isotope labeling	Concentration
1	SlyD	[U-100% 13C; U-100% 15N]	1.0 ~ 1.5 mM
2	Tris buffer	natural abundance	20 mM
3	NaCl	natural abundance	100 mM
4	NaN3	natural abundance	0.02 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

10 3D HCCH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
7	SlyD	[U-100% 13C; U-100% 15N]		1.0 ~ 1.5 mM
8	D2O	natural abundance		100 %

11 3D HCCH-COSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
7	SlyD	[U-100% 13C; U-100% 15N]		1.0 ~ 1.5 mM
8	D2O	natural abundance		100 %

12 3D HBHA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.3 mM in 20 mM Tris buffer,100 mM NaCl,0.02% NaN3, pH 6.8

#	Name	Isotope labeling	Concentration
1	SlyD	[U-100% 13C; U-100% 15N]	1.0 ~ 1.5 mM
2	Tris buffer	natural abundance	20 mM
3	NaCl	natural abundance	100 mM
4	NaN3	natural abundance	0.02 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

13 3D HNHA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.3 mM in 20 mM Tris buffer,100 mM NaCl,0.02% NaN3, pH 6.8

#	Name	Isotope labeling	Concentration
1	SlyD	[U-100% 13C; U-100% 15N]	1.0 ~ 1.5 mM
2	Tris buffer	natural abundance	20 mM
3	NaCl	natural abundance	100 mM
4	NaN3	natural abundance	0.02 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

14 3D HN(CO)CA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.3 mM in 20 mM Tris buffer,100 mM NaCl,0.02% NaN3, pH 6.8

#	Name	Isotope labeling	Concentration
1	SlyD	[U-100% 13C; U-100% 15N]	1.0 ~ 1.5 mM
2	Tris buffer	natural abundance	20 mM
3	NaCl	natural abundance	100 mM
4	NaN3	natural abundance	0.02 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

15 3D 1H-15N NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.3 mM in 20 mM Tris buffer,100 mM NaCl,0.02% NaN3, pH 6.8

#	Name	Isotope labeling	Concentration
1	SlyD	[U-100% 13C; U-100% 15N]	1.0 ~ 1.5 mM
2	Tris buffer	natural abundance	20 mM
3	NaCl	natural abundance	100 mM
4	NaN3	natural abundance	0.02 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

16 3D 1H-13C NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
7	SlyD	[U-100% 13C; U-100% 15N]		1.0 ~ 1.5 mM
8	D2O	natural abundance		100 %

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Found 1 Document (0.987 seconds)

BMRB: 16629

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. SlyD, : 1 : 1 : 32 entities Detail

Experiments performed 16 experiments Detail

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