BMRBj - BMREntryMaster

Found 1 Document (8.172 seconds)

BMRB: 5873

1P6R

Backbone and side chains 1H, 13C, and 15N Chemical Shift Assignments for BlaI-NTD

Authors

Van Melckebeke, H., Vreuls, C., Gans, P., Filee, P., Llabres, G., Joris, B., Simorre, J.

Assembly

BlaI N-terminal domain

Entity

1. BlaI N-terminal domain (polymer, Thiol state: not present), 82 monomers, 9495.945 Da Detail

MKKIPQISDA ELEVMKVIWK HSSINTNEVI KELSKTSTWS PKTIQTMLLR LIKKGALNHH KEGRVFVYTP NIDESDYIEV KS

Formula weight

9495.945 Da

Source organism

Bacillus licheniformis

Exptl. method

NMR

Refine. method

simulated annealing, molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.1 %, Completeness: 84.3 %, Completeness (bb): 93.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	84.3 % (852 of 1011)	79.2 % (420 of 530)	90.1 % (355 of 394)	88.5 % (77 of 87)
Backbone	93.2 % (453 of 486)	92.0 % (150 of 163)	93.4 % (228 of 244)	94.9 % (75 of 79)
Sidechain	78.5 % (475 of 605)	73.6 % (270 of 367)	88.3 % (203 of 230)	25.0 % (2 of 8)
Aromatic	79.0 % (49 of 62)	71.0 % (22 of 31)	86.2 % (25 of 29)	100.0 % (2 of 2)
Methyl	92.0 % (92 of 100)	92.0 % (46 of 50)	92.0 % (46 of 50)

1. b-lactamase gene repressor

MKKIPQISDA ELEVMKVIWK HSSINTNEVI KELSKTSTWS PKTIQTMLLR LIKKGALNHH KEGRVFVYTP NIDESDYIEV KS

Show sample condition

Sample #1

Temperature 298 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Concentration
1	b-lactamase gene repressor	[U-13C; U-15N]	0.5 mM
2	phosphate buffer		75 mM
3	KCl		300 mM
4	H2O		90 %
5	D2O		10 %

Sample #2

Temperature 298 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
6	b-lactamase gene repressor	[U-15N]		0.75 mM

LACS Plot; CA

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

Referencing offset: 0.3 ppm, Outliers: 3 Detail

LACS Plot; CB

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

Referencing offset: 0.3 ppm, Outliers: 3 Detail

LACS Plot; HA

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

Referencing offset: -0.02 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.38 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 19 models in PDB: 1P6R, Strand ID: A Detail

Release date

2004-07-06

Citation

Solution structural study of BlaI: implications for the repression of genes involved in beta-lactam antibiotic resistance
Van Melckebeke, H., Vreuls, C., Gans, P., Filee, P., Llabres, G., Joris, B., Simorre, J.
J. Mol. Biol. (2003), 333, 711-720, PubMed 14568532 , DOI: , Abstract

Entries sharing articles Swiss-Prot: 1 entries Detail

Swiss-Prot: P06555 released on 1988-01-01
Title BLAI_BACLI Entity Penicillinase repressor

Related entities 1. BlaI N-terminal domain, : 1 : 2 : 14 entities Detail

Experiments performed 10 experiments Detail

1 HNCA

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Concentration
1	b-lactamase gene repressor	[U-13C; U-15N]	0.5 mM
2	phosphate buffer		75 mM
3	KCl		300 mM
4	H2O		90 %
5	D2O		10 %

Sample #2

Temperature 298 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
6	b-lactamase gene repressor	[U-15N]		0.75 mM

2 HNCO

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Concentration
1	b-lactamase gene repressor	[U-13C; U-15N]	0.5 mM
2	phosphate buffer		75 mM
3	KCl		300 mM
4	H2O		90 %
5	D2O		10 %

Sample #2

Temperature 298 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
6	b-lactamase gene repressor	[U-15N]		0.75 mM

3 HN(CA)CO

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Concentration
1	b-lactamase gene repressor	[U-13C; U-15N]	0.5 mM
2	phosphate buffer		75 mM
3	KCl		300 mM
4	H2O		90 %
5	D2O		10 %

Sample #2

Temperature 298 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
6	b-lactamase gene repressor	[U-15N]		0.75 mM

4 CBCANH

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Concentration
1	b-lactamase gene repressor	[U-13C; U-15N]	0.5 mM
2	phosphate buffer		75 mM
3	KCl		300 mM
4	H2O		90 %
5	D2O		10 %

Sample #2

Temperature 298 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
6	b-lactamase gene repressor	[U-15N]		0.75 mM

5 CBCA(CO)NH

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Concentration
1	b-lactamase gene repressor	[U-13C; U-15N]	0.5 mM
2	phosphate buffer		75 mM
3	KCl		300 mM
4	H2O		90 %
5	D2O		10 %

Sample #2

Temperature 298 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
6	b-lactamase gene repressor	[U-15N]		0.75 mM

6 (H)C(CO)NH-TOCSY

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Concentration
1	b-lactamase gene repressor	[U-13C; U-15N]	0.5 mM
2	phosphate buffer		75 mM
3	KCl		300 mM
4	H2O		90 %
5	D2O		10 %

Sample #2

Temperature 298 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
6	b-lactamase gene repressor	[U-15N]		0.75 mM

7 H(CCO)NH-TOCSY

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Concentration
1	b-lactamase gene repressor	[U-13C; U-15N]	0.5 mM
2	phosphate buffer		75 mM
3	KCl		300 mM
4	H2O		90 %
5	D2O		10 %

Sample #2

Temperature 298 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
6	b-lactamase gene repressor	[U-15N]		0.75 mM

8 1H-15N HSQC

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Concentration
1	b-lactamase gene repressor	[U-13C; U-15N]	0.5 mM
2	phosphate buffer		75 mM
3	KCl		300 mM
4	H2O		90 %
5	D2O		10 %

Sample #2

Temperature 298 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
6	b-lactamase gene repressor	[U-15N]		0.75 mM

9 H(C)CH-TOCSY

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Concentration
1	b-lactamase gene repressor	[U-13C; U-15N]	0.5 mM
2	phosphate buffer		75 mM
3	KCl		300 mM
4	H2O		90 %
5	D2O		10 %

Sample #2

Temperature 298 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
6	b-lactamase gene repressor	[U-15N]		0.75 mM

10 2D-NOESY

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Concentration
1	b-lactamase gene repressor	[U-13C; U-15N]	0.5 mM
2	phosphate buffer		75 mM
3	KCl		300 mM
4	H2O		90 %
5	D2O		10 %

Sample #2

Temperature 298 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
6	b-lactamase gene repressor	[U-15N]		0.75 mM

nullKeywords b-lactamase repressor BlaI, NMR spectroscopy, Winged Helix Protein, protein-DNA interaction, bacterial resistance to antibiotics

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Found 1 Document (8.172 seconds)

BMRB: 5873

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles Swiss-Prot: 1 entries Detail

Related entities 1. BlaI N-terminal domain, : 1 : 2 : 14 entities Detail

Experiments performed 10 experiments Detail

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