BMRB Entry 25387

Name: Backbone and side-chain 1H, 15N, 13C assignment and secondary structure of BPSL1445 from Burkholderia pseudomallei
Published: 2015-06-04

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PDB ID: 7ofn
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25387
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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:

Backbone and side-chain 1H, 15N, 13C assignment and secondary structure of BPSL1445 from Burkholderia pseudomallei

Deposition date:

2014-12-10

Original release date:

2015-06-04

Authors:

Musco, Giovanna; Bolognesi, Martino; Berardi, Andrea; Gaudesi, Davide; Gourlay, Louise; Quilici, Giacomo

Citation:

Citation: Quilici, Giacomo; Berardi, Andrea; Gaudesi, Davide; Gourlay, Louise; Bolognesi, Martino; Musco, Giovanna. "Backbone and side-chain 1H, 15N, 13C assignment and secondary structure of BPSL1445 from Burkholderia pseudomallei" Biomol. NMR Assign. 9, 347-350 (2015).
PubMed: 25893672

Assembly members:

Assembly members:
BPSL1445, polymer, 163 residues, Formula weight is not available

Natural source:

Natural source: Common Name: b-proteobacteria Taxonomy ID: 28450 Superkingdom: Bacteria Kingdom: not available Genus/species: Bulkholderia Pseudomallei

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pGEX-4T-1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
BPSL1445: GSATNASKRQAIDASVDATL SRLYSTVRGSRELVAKSRGV LVFPDVIQAGLIIGGQTGNG ALRVGGATVGYYNTSSLSVG LQAGAQSKAIVFLFMTQDAL DKFRNSDGWAAGADASVALV KMGANGAIDTTTATAPVEVI VLTNAGLMGDVSISGTKVTK LKI

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	663
15N chemical shifts	168
1H chemical shifts	1083

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1
2	entity_2	1

Entities:

Entity 1, entity_1 163 residues - Formula weight is not available

1

GLY

SER

ALA

THR

ASN

ALA

SER

LYS

ARG

GLN

2

ALA

ILE

ASP

ALA

SER

VAL

ASP

ALA

THR

LEU

3

SER

ARG

LEU

TYR

SER

THR

VAL

ARG

GLY

SER

4

ARG

GLU

LEU

VAL

ALA

LYS

SER

ARG

GLY

VAL

5

LEU

VAL

PHE

PRO

ASP

VAL

ILE

GLN

ALA

GLY

6

LEU

ILE

GLY

GLN

THR

GLY

ASN

GLY

7

ALA

LEU

ARG

VAL

GLY

ALA

THR

VAL

GLY

8

TYR

ASN

THR

SER

LEU

SER

VAL

GLY

9

LEU

GLN

ALA

GLY

ALA

GLN

SER

LYS

ALA

ILE

10

VAL

PHE

LEU

PHE

MET

THR

GLN

ASP

ALA

LEU

11

ASP

LYS

PHE

ARG

ASN

SER

ASP

GLY

TRP

ALA

12

ALA

GLY

ALA

ASP

ALA

SER

VAL

ALA

LEU

VAL

13

LYS

MET

GLY

ALA

ASN

GLY

ALA

ILE

ASP

THR

14

THR

ALA

THR

ALA

PRO

VAL

GLU

VAL

ILE

15

VAL

LEU

THR

ASN

ALA

GLY

LEU

MET

GLY

ASP

16

VAL

SER

ILE

SER

GLY

THR

LYS

VAL

THR

LYS

17

LEU

LYS

ILE

Samples:

sample_1: BPSL1445 0.7 mM; BPSL1445, [U-98% 15N], 0.7 mM; BPSL1445, [U-98% 13C; U-98% 15N], 0.7 mM; H2O 90%; D2O 10%

sample_2: BPSL1445 0.7 mM; BPSL1445, [U-98% 15N], 0.7 mM; BPSL1445, [U-98% 13C; U-98% 15N], 0.7 mM; D2O 100%

sample_conditions: ionic strength: 0.15 M; pH: 6.3; pressure: 1 atm; temperature: 295 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions
3D HNCA	sample_1	isotropic	sample_conditions
3D HNCACB	sample_1	isotropic	sample_conditions
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions
3D C(CO)NH	sample_1	isotropic	sample_conditions
3D H(CCO)NH	sample_1	isotropic	sample_conditions
3D HNCO	sample_1	isotropic	sample_conditions
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions

Software:

TOPSPIN, Bruker Biospin - collection, processing

CCPNMR v2.1, CCPN - chemical shift assignment, data analysis

NMR spectrometers:

Bruker Avance 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks