BMRBj - BMREntryMaster

Found 1 Document (1.973 seconds)

BMRB: 6047

1S6L

1H, 15N, and 13C resonance assignment of the 23 kDa organomercurial lyase MerB in the free form

Authors

Di Lello, P., Benison, G.C., Omichinski, J.G., Legault, P.

Assembly

Organomercurial Lyase

Entity

1. Organomercurial Lyase (polymer, Thiol state: all free), 212 monomers, 23035.04 Da Detail

MKLAPYILEL LTSVNRTNGT ADLLVPLLRE LAKGRPVSRT TLAGILDWPA ERVAAVLEQA TSTEYDKDGN IIGYGLTLRE TSYVFEIDDR RLYAWCALDT LIFPALIGRT ARVSSHCAAT GAPVSLTVSP SEIQAVEPAG MAVSLVLPQE AADVRQSFCC HVHFFASVPT AEDWASKHQG LEGLAIVSVH EAFGLGQEFN RHLLQTMSSR TP

Formula weight

23035.04 Da

Source organism

Escherichia coli

Exptl. method

NMR

Refine. method

Simulated annealing, with a combination of torsion angle dynamics and cartesian dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 90.1 %, Completeness: 74.1 %, Completeness (bb): 85.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	74.1 % (1759 of 2374)	72.2 % (875 of 1212)	73.6 % (697 of 947)	87.0 % (187 of 215)
Backbone	85.3 % (1066 of 1250)	85.7 % (365 of 426)	84.4 % (526 of 623)	87.1 % (175 of 201)
Sidechain	65.4 % (865 of 1323)	65.0 % (511 of 786)	65.4 % (342 of 523)	85.7 % (12 of 14)
Aromatic	22.9 % (39 of 170)	30.6 % (26 of 85)	12.2 % (10 of 82)	100.0 % (3 of 3)
Methyl	69.0 % (200 of 290)	68.3 % (99 of 145)	69.7 % (101 of 145)

1. Organomercurial Lyase

Show sample condition

Sample #1

Temperature 300 (±0.5) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Organomercurial Lyase	[U-15N]	1.0 ~ 1.5 mM
2	sodium phosphate buffer		10.0 ~ 10.0 mM
3	sodium chloride		10.0 ~ 10.0 mM
4	DTT		7.5 ~ 7.5 mM
5	EDTA		1.0 ~ 1.0 mM

Sample #2

Temperature 300 (±0.5) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Organomercurial Lyase	[U-95% 13C; U-90% 15N]	1.0 ~ 1.5 mM
7	sodium phosphate buffer		10.0 ~ 10.0 mM
8	sodium chloride		10.0 ~ 10.0 mM
9	DTT		7.5 ~ 7.5 mM
10	EDTA		1.0 ~ 1.0 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: -0.14 ppm, Outliers: 1 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: -0.14 ppm, Outliers: 1 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: -0.04 ppm, Outliers: 2 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: 0.29 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 1S6L, Strand ID: A Detail

Release date

2004-07-22

Citation

1H, 15N, and 13C resonance assignment of the 23 kDa organomercurial lyase MerB in its free and mercury-bound forms
Di Lello, P., Benison, G.C., Omichinski, J.G., Legault, P.
J. Biomol. NMR (2004), 29, 457-458, PubMed 15213467 , DOI 10.1023/B:JNMR.0000032559.32474.a1 , Abstract

Related entities 1. Organomercurial Lyase, : 1 : 12 : 6 : 7 entities Detail

Experiments performed 15 experiments Detail

1 2D [1H-15N]-HSQC

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 300 (±0.5) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Organomercurial Lyase	[U-15N]	1.0 ~ 1.5 mM
2	sodium phosphate buffer		10.0 ~ 10.0 mM
3	sodium chloride		10.0 ~ 10.0 mM
4	DTT		7.5 ~ 7.5 mM
5	EDTA		1.0 ~ 1.0 mM

Sample #2

Temperature 300 (±0.5) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Organomercurial Lyase	[U-95% 13C; U-90% 15N]	1.0 ~ 1.5 mM
7	sodium phosphate buffer		10.0 ~ 10.0 mM
8	sodium chloride		10.0 ~ 10.0 mM
9	DTT		7.5 ~ 7.5 mM
10	EDTA		1.0 ~ 1.0 mM

2 2D [1H-13C]-CT-HSQC

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 300 (±0.5) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Organomercurial Lyase	[U-15N]	1.0 ~ 1.5 mM
2	sodium phosphate buffer		10.0 ~ 10.0 mM
3	sodium chloride		10.0 ~ 10.0 mM
4	DTT		7.5 ~ 7.5 mM
5	EDTA		1.0 ~ 1.0 mM

Sample #2

Temperature 300 (±0.5) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Organomercurial Lyase	[U-95% 13C; U-90% 15N]	1.0 ~ 1.5 mM
7	sodium phosphate buffer		10.0 ~ 10.0 mM
8	sodium chloride		10.0 ~ 10.0 mM
9	DTT		7.5 ~ 7.5 mM
10	EDTA		1.0 ~ 1.0 mM

3 3D HNCACB

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 300 (±0.5) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Organomercurial Lyase	[U-15N]	1.0 ~ 1.5 mM
2	sodium phosphate buffer		10.0 ~ 10.0 mM
3	sodium chloride		10.0 ~ 10.0 mM
4	DTT		7.5 ~ 7.5 mM
5	EDTA		1.0 ~ 1.0 mM

Sample #2

Temperature 300 (±0.5) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Organomercurial Lyase	[U-95% 13C; U-90% 15N]	1.0 ~ 1.5 mM
7	sodium phosphate buffer		10.0 ~ 10.0 mM
8	sodium chloride		10.0 ~ 10.0 mM
9	DTT		7.5 ~ 7.5 mM
10	EDTA		1.0 ~ 1.0 mM

4 3D(HB)CBCA(CO)NNH

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 300 (±0.5) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Organomercurial Lyase	[U-15N]	1.0 ~ 1.5 mM
2	sodium phosphate buffer		10.0 ~ 10.0 mM
3	sodium chloride		10.0 ~ 10.0 mM
4	DTT		7.5 ~ 7.5 mM
5	EDTA		1.0 ~ 1.0 mM

Sample #2

Temperature 300 (±0.5) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Organomercurial Lyase	[U-95% 13C; U-90% 15N]	1.0 ~ 1.5 mM
7	sodium phosphate buffer		10.0 ~ 10.0 mM
8	sodium chloride		10.0 ~ 10.0 mM
9	DTT		7.5 ~ 7.5 mM
10	EDTA		1.0 ~ 1.0 mM

5 3D HNCO

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 300 (±0.5) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Organomercurial Lyase	[U-15N]	1.0 ~ 1.5 mM
2	sodium phosphate buffer		10.0 ~ 10.0 mM
3	sodium chloride		10.0 ~ 10.0 mM
4	DTT		7.5 ~ 7.5 mM
5	EDTA		1.0 ~ 1.0 mM

Sample #2

Temperature 300 (±0.5) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Organomercurial Lyase	[U-95% 13C; U-90% 15N]	1.0 ~ 1.5 mM
7	sodium phosphate buffer		10.0 ~ 10.0 mM
8	sodium chloride		10.0 ~ 10.0 mM
9	DTT		7.5 ~ 7.5 mM
10	EDTA		1.0 ~ 1.0 mM

6 3D H(CCO)NNH-TOCSY

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 300 (±0.5) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Organomercurial Lyase	[U-15N]	1.0 ~ 1.5 mM
2	sodium phosphate buffer		10.0 ~ 10.0 mM
3	sodium chloride		10.0 ~ 10.0 mM
4	DTT		7.5 ~ 7.5 mM
5	EDTA		1.0 ~ 1.0 mM

Sample #2

Temperature 300 (±0.5) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Organomercurial Lyase	[U-95% 13C; U-90% 15N]	1.0 ~ 1.5 mM
7	sodium phosphate buffer		10.0 ~ 10.0 mM
8	sodium chloride		10.0 ~ 10.0 mM
9	DTT		7.5 ~ 7.5 mM
10	EDTA		1.0 ~ 1.0 mM

7 3D C(CO)NNH-TOCSY

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 300 (±0.5) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Organomercurial Lyase	[U-15N]	1.0 ~ 1.5 mM
2	sodium phosphate buffer		10.0 ~ 10.0 mM
3	sodium chloride		10.0 ~ 10.0 mM
4	DTT		7.5 ~ 7.5 mM
5	EDTA		1.0 ~ 1.0 mM

Sample #2

Temperature 300 (±0.5) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Organomercurial Lyase	[U-95% 13C; U-90% 15N]	1.0 ~ 1.5 mM
7	sodium phosphate buffer		10.0 ~ 10.0 mM
8	sodium chloride		10.0 ~ 10.0 mM
9	DTT		7.5 ~ 7.5 mM
10	EDTA		1.0 ~ 1.0 mM

8 3D HCCH-COSY

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 300 (±0.5) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Organomercurial Lyase	[U-15N]	1.0 ~ 1.5 mM
2	sodium phosphate buffer		10.0 ~ 10.0 mM
3	sodium chloride		10.0 ~ 10.0 mM
4	DTT		7.5 ~ 7.5 mM
5	EDTA		1.0 ~ 1.0 mM

Sample #2

Temperature 300 (±0.5) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Organomercurial Lyase	[U-95% 13C; U-90% 15N]	1.0 ~ 1.5 mM
7	sodium phosphate buffer		10.0 ~ 10.0 mM
8	sodium chloride		10.0 ~ 10.0 mM
9	DTT		7.5 ~ 7.5 mM
10	EDTA		1.0 ~ 1.0 mM

9 3D HCCH-TOCSY

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 300 (±0.5) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Organomercurial Lyase	[U-15N]	1.0 ~ 1.5 mM
2	sodium phosphate buffer		10.0 ~ 10.0 mM
3	sodium chloride		10.0 ~ 10.0 mM
4	DTT		7.5 ~ 7.5 mM
5	EDTA		1.0 ~ 1.0 mM

Sample #2

Temperature 300 (±0.5) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Organomercurial Lyase	[U-95% 13C; U-90% 15N]	1.0 ~ 1.5 mM
7	sodium phosphate buffer		10.0 ~ 10.0 mM
8	sodium chloride		10.0 ~ 10.0 mM
9	DTT		7.5 ~ 7.5 mM
10	EDTA		1.0 ~ 1.0 mM

10 2D(Hb)Cb(CgCd)Hd

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 300 (±0.5) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Organomercurial Lyase	[U-15N]	1.0 ~ 1.5 mM
2	sodium phosphate buffer		10.0 ~ 10.0 mM
3	sodium chloride		10.0 ~ 10.0 mM
4	DTT		7.5 ~ 7.5 mM
5	EDTA		1.0 ~ 1.0 mM

Sample #2

Temperature 300 (±0.5) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Organomercurial Lyase	[U-95% 13C; U-90% 15N]	1.0 ~ 1.5 mM
7	sodium phosphate buffer		10.0 ~ 10.0 mM
8	sodium chloride		10.0 ~ 10.0 mM
9	DTT		7.5 ~ 7.5 mM
10	EDTA		1.0 ~ 1.0 mM

11 2D(Hb)Cb(CgCdCe)He

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 300 (±0.5) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Organomercurial Lyase	[U-15N]	1.0 ~ 1.5 mM
2	sodium phosphate buffer		10.0 ~ 10.0 mM
3	sodium chloride		10.0 ~ 10.0 mM
4	DTT		7.5 ~ 7.5 mM
5	EDTA		1.0 ~ 1.0 mM

Sample #2

Temperature 300 (±0.5) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Organomercurial Lyase	[U-95% 13C; U-90% 15N]	1.0 ~ 1.5 mM
7	sodium phosphate buffer		10.0 ~ 10.0 mM
8	sodium chloride		10.0 ~ 10.0 mM
9	DTT		7.5 ~ 7.5 mM
10	EDTA		1.0 ~ 1.0 mM

12 3D 15N-edited TOCSY

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 300 (±0.5) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Organomercurial Lyase	[U-15N]	1.0 ~ 1.5 mM
2	sodium phosphate buffer		10.0 ~ 10.0 mM
3	sodium chloride		10.0 ~ 10.0 mM
4	DTT		7.5 ~ 7.5 mM
5	EDTA		1.0 ~ 1.0 mM

Sample #2

Temperature 300 (±0.5) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Organomercurial Lyase	[U-95% 13C; U-90% 15N]	1.0 ~ 1.5 mM
7	sodium phosphate buffer		10.0 ~ 10.0 mM
8	sodium chloride		10.0 ~ 10.0 mM
9	DTT		7.5 ~ 7.5 mM
10	EDTA		1.0 ~ 1.0 mM

13 3D [1H-15N]-NOESY-HSQC

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 300 (±0.5) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Organomercurial Lyase	[U-15N]	1.0 ~ 1.5 mM
2	sodium phosphate buffer		10.0 ~ 10.0 mM
3	sodium chloride		10.0 ~ 10.0 mM
4	DTT		7.5 ~ 7.5 mM
5	EDTA		1.0 ~ 1.0 mM

Sample #2

Temperature 300 (±0.5) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Organomercurial Lyase	[U-95% 13C; U-90% 15N]	1.0 ~ 1.5 mM
7	sodium phosphate buffer		10.0 ~ 10.0 mM
8	sodium chloride		10.0 ~ 10.0 mM
9	DTT		7.5 ~ 7.5 mM
10	EDTA		1.0 ~ 1.0 mM

14 3D [1H-13C]-HMQC-NOESY

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 300 (±0.5) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Organomercurial Lyase	[U-15N]	1.0 ~ 1.5 mM
2	sodium phosphate buffer		10.0 ~ 10.0 mM
3	sodium chloride		10.0 ~ 10.0 mM
4	DTT		7.5 ~ 7.5 mM
5	EDTA		1.0 ~ 1.0 mM

Sample #2

Temperature 300 (±0.5) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Organomercurial Lyase	[U-95% 13C; U-90% 15N]	1.0 ~ 1.5 mM
7	sodium phosphate buffer		10.0 ~ 10.0 mM
8	sodium chloride		10.0 ~ 10.0 mM
9	DTT		7.5 ~ 7.5 mM
10	EDTA		1.0 ~ 1.0 mM

15 3D HNHA

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 300 (±0.5) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	Organomercurial Lyase	[U-15N]	1.0 ~ 1.5 mM
2	sodium phosphate buffer		10.0 ~ 10.0 mM
3	sodium chloride		10.0 ~ 10.0 mM
4	DTT		7.5 ~ 7.5 mM
5	EDTA		1.0 ~ 1.0 mM

Sample #2

Temperature 300 (±0.5) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
6	Organomercurial Lyase	[U-95% 13C; U-90% 15N]	1.0 ~ 1.5 mM
7	sodium phosphate buffer		10.0 ~ 10.0 mM
8	sodium chloride		10.0 ~ 10.0 mM
9	DTT		7.5 ~ 7.5 mM
10	EDTA		1.0 ~ 1.0 mM

nullKeywords MerB, bacterial mercury resistance system

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Found 1 Document (1.973 seconds)

BMRB: 6047

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Organomercurial Lyase, : 1 : 12 : 6 : 7 entities Detail

Experiments performed 15 experiments Detail

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