BMRB Entry 16783

Name: Smr in bicelles
Published: 2010-05-03

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR16783

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Smr in bicelles

Deposition date:

2010-03-22

Original release date:

2010-05-03

Authors:

Poget, Sebastien; Richard, Harris; Sean, Cahill

Citation:

Citation: Poget, Sebastien; Harris, Richard; Cahill, Sean; Girvin, Mark. "1H, 13C, 15N backbone NMR assignments of the Staphylococcus aureus small multidrug-resistance pump (Smr) in a functionally active conformation." Biomol. NMR Assignments 4, 139-142 (2010).
PubMed: 20407887

Assembly members:

Assembly members:
Smr, polymer, 107 residues, Formula weight is not available

Natural source:

Natural source: Common Name: firmicutes Taxonomy ID: 1280 Superkingdom: Bacteria Kingdom: not available Genus/species: Staphylococcus aureus

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Smr: MPYIYLIIAISTEVIGSAFL KSSEGFSKFIPSLGTIISFG ICFYFLSKTMQHLPLNITYA TWAGLGLVLTTVVSIIIFKE QINLITIVSIVLIIVGVVSL NIFGTSH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	244
15N chemical shifts	86
1H chemical shifts	86

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	monomer 1	1
2	monomer 2	1

Entities:

Entity 1, monomer 1 107 residues - Formula weight is not available

1

MET

PRO

TYR

ILE

TYR

LEU

ILE

ALA

ILE

2

SER

THR

GLU

VAL

ILE

GLY

SER

ALA

PHE

LEU

3

LYS

SER

GLU

GLY

PHE

SER

LYS

PHE

ILE

4

PRO

SER

LEU

GLY

THR

ILE

SER

PHE

GLY

5

ILE

CYS

PHE

TYR

PHE

LEU

SER

LYS

THR

MET

6

GLN

HIS

LEU

PRO

LEU

ASN

ILE

THR

TYR

ALA

7

THR

TRP

ALA

GLY

LEU

GLY

LEU

VAL

LEU

THR

8

THR

VAL

SER

ILE

PHE

LYS

GLU

9

GLN

ILE

ASN

LEU

ILE

THR

ILE

VAL

SER

ILE

10

VAL

LEU

ILE

VAL

GLY

VAL

SER

LEU

11

ASN

ILE

PHE

GLY

THR

SER

HIS

Samples:

sample_1: Smr, [U-100% 13C; U-100% 15N; U-100% 2H], 1 mM; DHPC 200 mM; DMPC 84 mM; potassium phosphate 20 mM; TSP 1 mM; sodium azide 0.05%; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 20 mM; pH: 6.8; pressure: 1 atm; temperature: 315.5 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HCACO	sample_1	isotropic	sample_conditions_1
3D HN(CA)CB	sample_1	isotropic	sample_conditions_1
2D CACO	sample_1	isotropic	sample_conditions_1

Software:

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

Analysis, CCPN - chemical shift assignment

NMR spectrometers:

Bruker Avance 800 MHz
Bruker Avance 900 MHz

DBJ	BAD01019 BAE92298 BAP94573
EMBL	CAA33598 CAA44471 CAA44472 CAA86016 CAC14916
GB	AAA26666 AAA26668 AAA60379 AAB02114 AAB07747
PRF	1907159A
REF	NP_647561 NP_863640 NP_878005 NP_940784 WP_001146389
SP	P14319 Q55339
AlphaFold	P14319 Q55339