BMRB: 6357

Backbone Resonance Assignments of Wild-Type TEM-1 Beta-lactamase from E. coli

Authors

Julien, O., Savard, P., Gagne, S.M.

Assembly

Beta-lactamase TEM

Entity

1. Beta-lactamase TEM (polymer, Thiol state: all disulfide bound), 263 monomers, 28906.66 Da Detail

HPETLVKVKD AEDQLGARVG YIELDLNSGK ILESFRPEER FPMMSTFKVL LCGAVLSRVD AGQEQLGRRI HYSQNDLVEY SPVTEKHLTD GMTVRELCSA AITMSDNTAA NLLLTTIGGP KELTAFLHNM GDHVTRLDRW EPELNEAIPN DERDTTMPAA MATTLRKLLT GELLTLASRQ QLIDWMEADK VAGPLLRSAL PAGWFIADKS GAGERGSRGI IAALGPDGKP SRIVVIYTTG SQATMDERNR QIAEIGASLI KHW

Formula weight

28906.66 Da

Entity Connection

disulfide 1 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS52:SG	1:CYS98:SG

Source organism

Escherichia coli

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.6 %, Completeness: 46.5 %, Completeness (bb): 81.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	46.5 % (1384 of 2976)	24.3 % (375 of 1541)	65.3 % (760 of 1164)	91.9 % (249 of 271)
Backbone	81.6 % (1268 of 1554)	53.5 % (286 of 535)	95.4 % (733 of 768)	99.2 % (249 of 251)
Sidechain	20.7 % (345 of 1664)	8.9 % (90 of 1006)	40.0 % (255 of 638)	0.0 % (0 of 20)
Aromatic	2.6 % (4 of 154)	2.6 % (2 of 77)	2.7 % (2 of 73)	0.0 % (0 of 4)
Methyl	19.0 % (62 of 326)	14.7 % (24 of 163)	23.3 % (38 of 163)

1. TEM-1 beta-lactamase

HPETLVKVKD AEDQLGARVG YIELDLNSGK ILESFRPEER FPMMSTFKVL LCGAVLSRVD AGQEQLGRRI HYSQNDLVEY SPVTEKHLTD GMTVRELCSA AITMSDNTAA NLLLTTIGGP KELTAFLHNM GDHVTRLDRW EPELNEAIPN DERDTTMPAA MATTLRKLLT GELLTLASRQ QLIDWMEADK VAGPLLRSAL PAGWFIADKS GAGERGSRGI IAALGPDGKP SRIVVIYTTG SQATMDERNR QIAEIGASLI KHW

Show sample condition

Sample #1

Temperature 303 (±0.1) K, pH 6.6 (±0.02)

#	Name	Isotope labeling	Type	Concentration
1	TEM-1 beta-lactamase	[U-97.5% 13C; U-97.5% 15N]		1.0 mM
2	sodium phosphate			25 mM
3	Imidazole			4.0 mM
4	DSS			0.1 mM
5	sodium azide			0.1 %
6	D2O			10 %
7	H2O			90 %

Sample #2

Temperature 303 (±0.1) K, pH 6.6 (±0.02)

#	Name	Isotope labeling	Type	Concentration
8	TEM-1 beta-lactamase	[U-97.5% 15N]		1.0 mM
9	sodium phosphate			25 mM
10	Imidazole			4.0 mM
11	DSS			0.1 mM
12	sodium azide			0.1 %
13	D2O			10 %
14	H2O			90 %

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LACS Plot; CA

Referencing offset: -0.29 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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LACS Plot; CB

Referencing offset: -0.29 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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LACS Plot; CO

Referencing offset: -0.05 ppm, Outliers: 3 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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Protein Blocks Logo

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

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Release date

2004-10-31

Citation 1

Backbone Resonance Assignments of Wild-Type TEM-1 Beta-lactamase from E. coli
Julien, O., Savard, P., Gagne, S.M.

Show more 1 citaion

Citation 2

1H, 13C and 15N backbone resonance assignments for TEM-1, a 28.9 kDa beta-lactamase from E. coli
Savard, P.Y., Sosa-Peinado, A., Levesque, R.C., Makinen, M.W., Gagne, S.M.
J. Biomol. NMR (2004), 29, 433-434, PubMed 15213455 , DOI 10.1023/B:JNMR.0000032503.96942.68 , Abstract

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Related entities 1. Beta-lactamase TEM, : 1 : 5 : 6 : 43 : 116 entities Detail

Interaction partners 1. Beta-lactamase TEM, : 1 interactors Detail

Experiments performed 2 experiments Detail