BMRB Entry 18841

Name: E. coli O157 ParE2-associated antitoxin 2 (PaaA2)
Published: 2014-01-13

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PDB ID: 3zbe
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18841
MolProbity Validation Chart

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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:

E. coli O157 ParE2-associated antitoxin 2 (PaaA2)

Deposition date:

2012-11-15

Original release date:

2014-01-13

Authors:

Sterckx, Yann; van Nuland, Nico; Vranken, Wim; Loris, Remy

Citation:

Citation: Sterckx, Yann; Volkov, Alexander; Vranken, Wim; Kragelj, Jaka; Jensen, Malene Ringkjbing; Buts, Lieven; Garcia-Pino, Abel; Jove, Thomas; Van Melderen, Laurence; Blackledge, Martin; van Nuland, Nico; Loris, Remy. "Small-Angle X-Ray Scattering- and Nuclear Magnetic Resonance-Derived Conformational Ensemble of the Highly Flexible Antitoxin PaaA2." Structure ., .-. (2014).
PubMed: 24768114

Assembly members:

Assembly members:
Molecule_1, polymer, 71 residues, 8457.4051 Da.

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET21b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Molecule_1: MDYKDDDDKNRALSPMVSEF ETIEQENSYNEWLRAKVATS LADPRPAIPHDEVERRMAER FAKMRKERSKQ

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list
spectral_peak_list

Data type	Count
13C chemical shifts	311
15N chemical shifts	70
1H chemical shifts	484

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Antitoxin PaaA2	1

Entities:

Entity 1, Antitoxin PaaA2 71 residues - 8457.4051 Da.

1

MET

ASP

TYR

LYS

ASP

LYS

ASN

2

ARG

ALA

LEU

SER

PRO

MET

VAL

SER

GLU

PHE

3

GLU

THR

ILE

GLU

GLN

GLU

ASN

SER

TYR

ASN

4

GLU

TRP

LEU

ARG

ALA

LYS

VAL

ALA

THR

SER

5

LEU

ALA

ASP

PRO

ARG

PRO

ALA

ILE

PRO

HIS

6

ASP

GLU

VAL

GLU

ARG

MET

ALA

GLU

ARG

7

PHE

ALA

LYS

MET

ARG

LYS

GLU

ARG

SER

LYS

8

GLN

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC/HMQC	PaaA2	isotropic	PaaA2_1
3D HNCO	PaaA2	isotropic	PaaA2_1
2D 1H-15N HSQC/HMQC	PaaA2	isotropic	PaaA2_1
2D 1H-13C HSQC/HMQC	PaaA2	isotropic	PaaA2_1
2D 1H-13C HSQC/HMQC	PaaA2	isotropic	PaaA2_1
3D HNCACB	PaaA2	isotropic	PaaA2_1
cbcaconh (H[N[co[{CA\|ca[C]}]]])	PaaA2	isotropic	PaaA2_1
cconh (H[N[co[{CA\|ca[C]}]]])	PaaA2	isotropic	PaaA2_1
hbhaconh (H[N[ca[HA]]])	PaaA2	isotropic	PaaA2_1
hbcbcgcdhd (hbCBcgcdceHE)	PaaA2	isotropic	PaaA2_1
hbcbcgcdcehe (hbCBcgcdceHE)	PaaA2	isotropic	PaaA2_1
2D 1H-1H NOESY	PaaA2	isotropic	PaaA2_1
3D 1H-15N NOESY	PaaA2	isotropic	PaaA2_1
3D 1H-13C NOESY	PaaA2	isotropic	PaaA2_1
3D HCCH-TOCSY	PaaA2	isotropic	PaaA2_1
13CNOESY	sample_new_1	solution	PaaA2_1
15NNOESY	sample_new_1	solution	PaaA2_1
15NHSQC	sample_new_1	solution	PaaA2_1
15NHSQC2	sample_new_1	solution	PaaA2_1
2DNOESY	sample_new_1	solution	PaaA2_1
HCCHTOCSY	sample_new_1	solution	PaaA2_1
PAAA2HNCO	sample_new_1	solution	PaaA2_1
ALIC13HSQC	sample_new_1	solution	PaaA2_1
AROC13HSQC	sample_new_1	solution	PaaA2_1
CBCACONH	sample_new_1	solution	PaaA2_1
CCONH	sample_new_1	solution	PaaA2_1
HBCBCGCDCEHE	sample_new_1	solution	PaaA2_1
HBCBCGCDHD	sample_new_1	solution	PaaA2_1
HBHACONH	sample_new_1	solution	PaaA2_1
HNCACB	sample_new_1	solution	PaaA2_1

PDB	3ZBE 3ZBE
DBJ	BAI25904 BAI35348
EMBL	CTR47374 CTS93085 CTT27087 CTT30972 CTT49998
GB	AAK16987 AIL18032 ALH93779 EDZ74536 EFZ43696
REF	WP_000315207 WP_001302048 WP_001463348 WP_032300357 WP_042020325

BMRB Entry 18841

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

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