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Found 1 Document (0.787 seconds)

BMRB: 17403

3ZUA

1H, 15N and 13C resonance assignment of the N-terminal C39-peptidase like domain of the ABC transporter Haemolysin B (HlyB)

Authors

Lecher, J., Willbold, D., Stoldt, M., Schmitt, L., Smits, S., Schwarz, C.

Assembly

HlyB-C39

Entity

1. HlyB-C39 (polymer, Thiol state: all free), 142 monomers, 16082.27 Da Detail

GAMANSDSCH KIDYGLYALE ILAQYHNVSV NPEEIKHRFD TDGTGLGLTS WLLAAKSLEL KVKQVKKTID RLNFISLPAL VWREDGRHFI LTKVSKEANR YLIFDLEQRN PRVLEQSEFE ALYQGHIILI ASRSSVAGKL AK

Formula weight

16082.27 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

ARIA

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 99.2 %, Completeness (bb): 99.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	99.2 % (1682 of 1695)	99.2 % (873 of 880)	99.1 % (657 of 663)	100.0 % (152 of 152)
Backbone	99.1 % (838 of 846)	99.3 % (287 of 289)	98.8 % (413 of 418)	99.3 % (138 of 139)
Sidechain	99.0 % (973 of 983)	98.8 % (584 of 591)	99.2 % (376 of 379)	100.0 % (13 of 13)
Aromatic	98.5 % (132 of 134)	98.5 % (66 of 67)	98.5 % (64 of 65)	100.0 % (2 of 2)
Methyl	98.4 % (179 of 182)	97.8 % (89 of 91)	98.9 % (90 of 91)

1. HlyB C39 domain

GAMANSDSCH KIDYGLYALE ILAQYHNVSV NPEEIKHRFD TDGTGLGLTS WLLAAKSLEL KVKQVKKTID RLNFISLPAL VWREDGRHFI LTKVSKEANR YLIFDLEQRN PRVLEQSEFE ALYQGHIILI ASRSSVAGKL AK

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 6.000

#	Name	Isotope labeling	Concentration
1	C39-137	[U-13C; U-15N]	2.0 mM
2	H2O	[U-13C; U-15N]	93 %
3	D2O	[U-13C; U-15N]	7 %

Sample #2

Solvent system 93% H2O/7% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 6.000

#	Name	Isotope labeling	Concentration
4	C39-137	[U-15N]	2.5 mM
5	H2O	[U-15N]	93 %
6	D2O	[U-15N]	7 %

Sample #3

Solvent system 93% H2O/7% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 6.000, Details all buffer components are deuterated

#	Name	Isotope labeling	Concentration
7	C39-137	[U-13C; U-15N]	2.5 mM
8	H2O	[U-13C; U-15N]	93 %
9	D2O	[U-13C; U-15N]	7 %

Sample #4

Solvent system 100% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 6.000, Details all buffer components are deuterated

#	Name	Isotope labeling	Type	Concentration
10	C39-137	[U-13C; U-15N]		2.5 mM
11	D2O	[U-13C; U-15N]		100 %

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: 0.06 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: 0.06 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: 0.0 ppm, Outliers: 2 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: 0.21 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 3ZUA, Strand ID: A Detail

Release date

2011-03-06

Citation

1H, 15N and 13C resonance assignment of the N-terminal C39 peptidase-like domain of the ABC transporter Haemolysin B (HlyB)
Lecher, J., Stoldt, M., Schwarz, C.K.W., Smits, S.H.J., Schmitt, L., Willbold, D.
Biomol. NMR Assign. (2011), 5, 199-201, PubMed 21347827 , DOI 10.1007/s12104-011-9299-0 , Abstract

Related entities 1. HlyB-C39, : 1 : 3 : 20 entities Detail

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian VNMRS - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 6.000

#	Name	Isotope labeling	Concentration
4	C39-137	[U-15N]	2.5 mM
5	H2O	[U-15N]	93 %
6	D2O	[U-15N]	7 %

2 3D CBCA(CO)NH

Instrument

Varian VNMRS - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 6.000

#	Name	Isotope labeling	Concentration
1	C39-137	[U-13C; U-15N]	2.0 mM
2	H2O	[U-13C; U-15N]	93 %
3	D2O	[U-13C; U-15N]	7 %

3 3D HBHA(CO)NH

Instrument

Varian VNMRS - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 6.000

#	Name	Isotope labeling	Concentration
1	C39-137	[U-13C; U-15N]	2.0 mM
2	H2O	[U-13C; U-15N]	93 %
3	D2O	[U-13C; U-15N]	7 %

4 3D HNHA

Instrument

Varian VNMRS - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 6.000

#	Name	Isotope labeling	Concentration
4	C39-137	[U-15N]	2.5 mM
5	H2O	[U-15N]	93 %
6	D2O	[U-15N]	7 %

5 3D HNCO

Instrument

Varian VNMRS - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 6.000

#	Name	Isotope labeling	Concentration
1	C39-137	[U-13C; U-15N]	2.0 mM
2	H2O	[U-13C; U-15N]	93 %
3	D2O	[U-13C; U-15N]	7 %

6 3D HNCACB

Instrument

Varian VNMRS - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 6.000

#	Name	Isotope labeling	Concentration
1	C39-137	[U-13C; U-15N]	2.0 mM
2	H2O	[U-13C; U-15N]	93 %
3	D2O	[U-13C; U-15N]	7 %

7 3D H(CCO)NH

Instrument

Varian VNMRS - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 6.000

#	Name	Isotope labeling	Concentration
1	C39-137	[U-13C; U-15N]	2.0 mM
2	H2O	[U-13C; U-15N]	93 %
3	D2O	[U-13C; U-15N]	7 %

8 3D C(CO)NH

Instrument

Varian VNMRS - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 6.000

#	Name	Isotope labeling	Concentration
1	C39-137	[U-13C; U-15N]	2.0 mM
2	H2O	[U-13C; U-15N]	93 %
3	D2O	[U-13C; U-15N]	7 %

9 3D HCCH-COSY

Instrument

Varian VNMRS - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 6.000, Details all buffer components are deuterated

#	Name	Isotope labeling	Concentration
7	C39-137	[U-13C; U-15N]	2.5 mM
8	H2O	[U-13C; U-15N]	93 %
9	D2O	[U-13C; U-15N]	7 %

10 2D 1H-15N HMQC

Instrument

Varian VNMRS - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 6.000

#	Name	Isotope labeling	Concentration
4	C39-137	[U-15N]	2.5 mM
5	H2O	[U-15N]	93 %
6	D2O	[U-15N]	7 %

11 2D 1H-13C HSQC aromatic

Instrument

Varian VNMRS - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 6.000, Details all buffer components are deuterated

#	Name	Isotope labeling	Concentration
7	C39-137	[U-13C; U-15N]	2.5 mM
8	H2O	[U-13C; U-15N]	93 %
9	D2O	[U-13C; U-15N]	7 %

12 2D 1H-13C HSQC aliphatic

Instrument

Varian VNMRS - 900 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 6.000, Details all buffer components are deuterated

#	Name	Isotope labeling	Type	Concentration
10	C39-137	[U-13C; U-15N]		2.5 mM
11	D2O	[U-13C; U-15N]		100 %

13 3D 1H-15N NOESY

Instrument

Varian VNMRS - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 6.000

#	Name	Isotope labeling	Concentration
4	C39-137	[U-15N]	2.5 mM
5	H2O	[U-15N]	93 %
6	D2O	[U-15N]	7 %

14 3D 1H-13C NOESY aliphatic

Instrument

Varian VNMRS - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 6.000, Details all buffer components are deuterated

#	Name	Isotope labeling	Concentration
7	C39-137	[U-13C; U-15N]	2.5 mM
8	H2O	[U-13C; U-15N]	93 %
9	D2O	[U-13C; U-15N]	7 %

15 3D 1H-13C NOESY aromatic

Instrument

Varian VNMRS - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 6.000, Details all buffer components are deuterated

#	Name	Isotope labeling	Concentration
7	C39-137	[U-13C; U-15N]	2.5 mM
8	H2O	[U-13C; U-15N]	93 %
9	D2O	[U-13C; U-15N]	7 %

nullKeywords ABC transporter, C39 peptidase, heteronuclear NMR, resonance assignment

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Found 1 Document (0.787 seconds)

BMRB: 17403

Sample #1

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. HlyB-C39, : 1 : 3 : 20 entities Detail

Experiments performed 15 experiments Detail

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