BMRB Entry 25026

Name: NMR structure of putative beta-lactamase (NP_372339.1) from Staphylococcus aureus Mu50
Published: 2014-09-02

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PDB ID: 2mqb
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25026
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

NMR structure of putative beta-lactamase (NP_372339.1) from Staphylococcus aureus Mu50

Deposition date:

2014-06-18

Original release date:

2014-09-02

Authors:

Dutta, Samit; Serrano, Pedro; Geralt, Michael; Wuthrich, Kurt

Citation:

Citation: Dutta, Samit; Serrano, Pedro; Geralt, Michael; Wuthrich, Kurt. "NMR structure of putative beta-lactamase (NP_372339.1) from Staphylococcus aureus Mu50" .

Assembly members:

Assembly members:
entity, polymer, 152 residues, 16609.299 Da.

Natural source:

Natural source: Common Name: firmicutes Taxonomy ID: 158878 Superkingdom: Bacteria Kingdom: not available Genus/species: Staphylococcus aureus

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: GEEKMTNGQLWKKVKDSLID SNIISGNENEEITVTYVNKT GYSSSVSAYGNNNDDFSSTP SNFSKLKEIDLKKDNVPSDD FNTTVSGEDSWKTLTSKLKE KGLVTDGQTVTIHCNDKSDN TKSSVSGKVGADLTSGNGTT FKKRFIDKITID

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	1008
13C chemical shifts	484
15N chemical shifts	164

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Entities:

Entity 1, entity 152 residues - 16609.299 Da.

1

GLY

GLU

LYS

MET

THR

ASN

GLY

GLN

LEU

2

TRP

LYS

VAL

LYS

ASP

SER

LEU

ILE

ASP

3

SER

ASN

ILE

SER

GLY

ASN

GLU

ASN

GLU

4

GLU

ILE

THR

VAL

THR

TYR

VAL

ASN

LYS

THR

5

GLY

TYR

SER

VAL

SER

ALA

TYR

GLY

6

ASN

ASP

PHE

SER

THR

PRO

7

SER

ASN

PHE

SER

LYS

LEU

LYS

GLU

ILE

ASP

8

LEU

LYS

ASP

ASN

VAL

PRO

SER

ASP

9

PHE

ASN

THR

VAL

SER

GLY

GLU

ASP

SER

10

TRP

LYS

THR

LEU

THR

SER

LYS

LEU

LYS

GLU

11

LYS

GLY

LEU

VAL

THR

ASP

GLY

GLN

THR

VAL

12

THR

ILE

HIS

CYS

ASN

ASP

LYS

SER

ASP

ASN

13

THR

LYS

SER

VAL

SER

GLY

LYS

VAL

GLY

14

ALA

ASP

LEU

THR

SER

GLY

ASN

GLY

THR

15

PHE

LYS

ARG

PHE

ILE

ASP

LYS

ILE

THR

16

ILE

ASP

Samples:

sample_1: entity, [U-99% 13C; U-98% 15N], 1.2 mM; sodium phosphate 20 mM; sodium chloride 50 mM; sodium azide 5 mM; H2O 95%; D2O 5%

sample_conditions_1: temperature: 308 K; pH: 6.0; pressure: 1 atm; ionic strength: 0.0798 M

Experiments:

Name	Sample	Sample state	Sample conditions
APSY 4D-HACANH	sample_1	isotropic	sample_conditions_1
APSY 5D-HACACONH	sample_1	isotropic	sample_conditions_1
APSY 5D-CBCACONH	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1

Software:

CYANA, G??ntert P. - refinement

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 800 MHz

PDB	2MQB
DBJ	BAB42901 BAB57977 BAF78683
EMBL	CBX35026 CCJ11292 CCJ13257 CCJ15221 CCJ19148
GB	ABQ49653 ABR52738 ACY11710 ADC37981 AHM70591
REF	WP_001092756 WP_001092778 WP_001092779 WP_001092780 WP_001092781