BMRBj - BMREntryMaster

Found 1 Document (1.019 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 %

nullKeywords protein

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (1.019 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

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample