BMRB Entry 19536

Name: 1H, 13C, 15N chemical shift assignments of Streptomyces virginiae VirA acp5a
Published: 2014-06-02

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PDB ID: 2mf4
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19536
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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:

1H, 13C, 15N chemical shift assignments of Streptomyces virginiae VirA acp5a

Deposition date:

2013-10-05

Original release date:

2014-06-02

Authors:

Davison, Jack; Dorival, Jonathan; Rabeharindranto, M; Mazon, Hortense; Chagot, Benjamin; Gruez, Arnaud; Weissman, Kira

Citation:

Citation: Davison, Jack; Dorival, Jonathan; Rabeharindranto, M; Mazon, Hortense; Chagot, Benjamin; Gruez, Arnaud; Weissman, Kira. "NMR assignements of ACP5a" .

Assembly members:

Assembly members:
entity, polymer, 85 residues, 8883.024 Da.

Natural source:

Natural source: Common Name: Streptomyces virginiae Taxonomy ID: 1961 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptomyces virginiae

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pBG102 (pET27 derivative)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: GPGSAGRQEEIAEEVARLLA GVLYLEPDRLDPEETFLTLG VDSILGVEFVAAVNAAYPVG VKATALYDHPTPAAFARHIA ESLGA

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	364
15N chemical shifts	88
1H chemical shifts	587

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	acp5a	1

Entities:

Entity 1, acp5a 85 residues - 8883.024 Da.

1

GLY

PRO

GLY

SER

ALA

GLY

ARG

GLN

GLU

2

ILE

ALA

GLU

VAL

ALA

ARG

LEU

ALA

3

GLY

VAL

LEU

TYR

LEU

GLU

PRO

ASP

ARG

LEU

4

ASP

PRO

GLU

THR

PHE

LEU

THR

LEU

GLY

5

VAL

ASP

SER

ILE

LEU

GLY

VAL

GLU

PHE

VAL

6

ALA

VAL

ASN

ALA

TYR

PRO

VAL

GLY

7

VAL

LYS

ALA

THR

ALA

LEU

TYR

ASP

HIS

PRO

8

THR

PRO

ALA

PHE

ALA

ARG

HIS

ILE

ALA

9

GLU

SER

LEU

GLY

ALA

Samples:

sample_1: sodium phosphate 100 mM; EDTA 1 mM; acp5a, [U-99% 13C; U-99% 15N], 1 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.1 M; pH: 6; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H COSY	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D HCCH-COSY	sample_1	isotropic	sample_conditions_1
3D HNHA	sample_1	isotropic	sample_conditions_1

Software:

AMBER v11, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

CYANA v3, Guntert, Mumenthaler and Wuthrich - structure solution

SPARKY, Goddard - data analysis

TOPSPIN, Bruker Biospin - collection

NMR spectrometers:

Bruker AMX 600 MHz