BMRB Entry 16392

Name: NMR relaxation data for the beta-lactamase TEM-1
Published: 2009-07-10

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16392

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: NMR relaxation data for the beta-lactamase TEM-1 PubMed: 16981701

Deposition date: 2009-07-02 Original release date: 2009-07-10

Authors: Gagne, Stephane; Savard, Pierre-Yves

Citation: Savard, Pierre-Yves; Gagne, Stephane. "Backbone dynamics of TEM-1 determined by NMR: evidence for a highly ordered protein" Biochemistry 45, 11414-11424 (2006).

Assembly members:
TEM-1, polymer, 286 residues, 28834.9 Da.

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Eubacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source: Production method: recombinant technology Host organism: Escherichia coli

Entity Sequences (FASTA):
TEM-1: MSIQHFRVALIPFFAAFCLP VFAHPGTLVKVKDAEDQLGA RVGYIELDLNSGKILESFRP EERFPMMSTFKVLLCGAVLS RVDAGQEQLGRRIHYSQNDL VEYSPVTEKHLTDGMTVREL CSAAITMSDNTAANLLLTTI GGPKELTAFLHNMGDHVTRL DRWEPELNEAIPNDERDTTM PAAMATTLRKLLTGELLTLA SRQQLIDWMEADKVAGPLLR SALPAGWFIADKSGAGERGS RGIIAALGPDGKPSRIVVIY TTGSQATMDERNRQIAEIGA SLIKHW

Data sets:

assigned_chemical_shifts
heteronucl_NOEs
- heteronuclear_noe_list_1
- heteronuclear_noe_list_2
heteronucl_T1_relaxation
heteronucl_T2_relaxation
order_parameters
- order_parameter_list_1

Data type	Count
heteronuclear NOE values	375
order parameters	182
T1 relaxation values	602
T2 relaxation values	602

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	TEM-1	1

Entities:

Entity 1, TEM-1 286 residues - 28834.9 Da.

The numbering is sequential from 26 to 288. The first 23 residues constitute a signal peptide cleaved in the mature protein. The numbering starts at 26 in order to give number 70 to the catalytic serine. There is no gap in the numbering scheme used here.

1

MET

SER

ILE

GLN

HIS

PHE

ARG

VAL

ALA

LEU

2

ILE

PRO

PHE

ALA

PHE

CYS

LEU

PRO

3

VAL

PHE

ALA

HIS

PRO

GLY

THR

LEU

VAL

LYS

4

VAL

LYS

ASP

ALA

GLU

ASP

GLN

LEU

GLY

ALA

5

ARG

VAL

GLY

TYR

ILE

GLU

LEU

ASP

LEU

ASN

6

SER

GLY

LYS

ILE

LEU

GLU

SER

PHE

ARG

PRO

7

GLU

ARG

PHE

PRO

MET

SER

THR

PHE

8

LYS

VAL

LEU

CYS

GLY

ALA

VAL

LEU

SER

9

ARG

VAL

ASP

ALA

GLY

GLN

GLU

GLN

LEU

GLY

10

ARG

ILE

HIS

TYR

SER

GLN

ASN

ASP

LEU

11

VAL

GLU

TYR

SER

PRO

VAL

THR

GLU

LYS

HIS

12

LEU

THR

ASP

GLY

MET

THR

VAL

ARG

GLU

LEU

13

CYS

SER

ALA

ILE

THR

MET

SER

ASP

ASN

14

THR

ALA

ASN

LEU

THR

ILE

15

GLY

PRO

LYS

GLU

LEU

THR

ALA

PHE

LEU

16

HIS

ASN

MET

GLY

ASP

HIS

VAL

THR

ARG

LEU

17

ASP

ARG

TRP

GLU

PRO

GLU

LEU

ASN

GLU

ALA

18

ILE

PRO

ASN

ASP

GLU

ARG

ASP

THR

MET

19

PRO

ALA

MET

ALA

THR

LEU

ARG

LYS

20

LEU

THR

GLY

GLU

LEU

THR

LEU

ALA

21

SER

ARG

GLN

LEU

ILE

ASP

TRP

MET

GLU

22

ALA

ASP

LYS

VAL

ALA

GLY

PRO

LEU

ARG

23

SER

ALA

LEU

PRO

ALA

GLY

TRP

PHE

ILE

ALA

24

ASP

LYS

SER

GLY

ALA

GLY

GLU

ARG

GLY

SER

25

ARG

GLY

ILE

ALA

LEU

GLY

PRO

ASP

26

GLY

LYS

PRO

SER

ARG

ILE

VAL

ILE

TYR

27

THR

GLY

SER

GLN

ALA

THR

MET

ASP

GLU

28

ARG

ASN

ARG

GLN

ILE

ALA

GLU

ILE

GLY

ALA

29

SER

LEU

ILE

LYS

HIS

TRP

Samples:

sample_1: TEM-1, [U-99% 15N], 0.7 mM; DSS 0.1 mM; sodium azide 0.1%; potassium phosphate 25 mM; imidazole 4.0 mM

sample_conditions_1: ionic strength: 0.05 M; pH: 6.6; pressure: 1 atm; temperature: 303.15 K

Experiments:

Name	Sample	Sample state	Sample conditions
15N-T1	sample_1	isotropic	sample_conditions_1
15N-T1	sample_1	isotropic	sample_conditions_1
15N-T1	sample_1	isotropic	sample_conditions_1
15N-T2	sample_1	isotropic	sample_conditions_1
15N-T2	sample_1	isotropic	sample_conditions_1
15N-T2	sample_1	isotropic	sample_conditions_1
1H-15N-NOE	sample_1	isotropic	sample_conditions_1
1H-15N-NOE	sample_1	isotropic	sample_conditions_1

Software:

VNMR v6.1C, Varian - collection

NMRView v5.2.2, Johnson, One Moon Scientific - chemical shift assignment, peak picking

ModelFree v4.16, Palmer - data analysis

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

Varian INOVA 600 MHz
Varian INOVA 800 MHz
Varian INOVA 500 MHz

PDB	1AXB 1BT5 1BTL 1CK3 1ERM 1ERO 1ERQ 1ESU 1FQG 1HTZ 1JTD 1JTG 1JVJ 1JWP 1JWV 1JWZ 1LHY 1LI0 1LI9 1M40 1NXY 1NY0 1NYM 1NYY 1PZO 1PZP 1S0W 1TEM 1XPB 1XXM 1YT4 1ZG4 1ZG6 2B5R 3C7U 3C7V 3CMZ 3GMW 3JYI 3P98 4GKU 4IBX 4MEZ 4OQG 4RVA 4RX2 4RX3 4ZJ1 4ZJ2 4ZJ3
DBJ	BAA00795 BAA03488 BAA12825 BAA14388 BAA19239
EMBL	CAA04868 CAA05682 CAA05685 CAA05686 CAA05689
GB	AAA24057 AAA25053 AAA32208 AAA53119 AAA53121
PIR	S60310 S60312 T51301
PRF	2018199A
REF	NP_052173 NP_569411 NP_608310 NP_758767 NP_775035
SP	P62593 P62594 Q48406
TPE	CAJ85677

Biological Magnetic Resonance Data Bank