BMRB Entry 17513

Name: Towards an atomistic level understanding of the unfolded state of Immunity protein 7 in non-denaturing conditions
Published: 2012-01-30

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17513

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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:

Towards an atomistic level understanding of the unfolded state of Immunity protein 7 in non-denaturing conditions

Deposition date:

2011-03-07

Original release date:

2012-01-30

Authors:

Pashley, Clare; Morgan, Gareth; Kalverda, Arnout; Thompson, Gary; Radford, Sheena

Citation:

Citation: Pashley, Clare; Morgan, Gareth; Kalverda, Arnout; Thompson, Gary; Kleanthous, Colin; Radford, Sheena. "Conformational properties of the unfolded state of Im7 in nondenaturing conditions." J. Mol. Biol. 416, 300-318 (2012).
PubMed: 22226836

Assembly members:

Assembly members:
Immunity protein 7, polymer, 94 residues, 10717.6621 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: pTrc99a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Immunity protein 7: MEHHHHHHELKNSISDYTEA EFVQAAKEIEKENVAATDDV LDVALEHFVKITEHPDGTDL IYYPSDNRDDSPEGIVKEIK EWRAANGKPGFKQG

Data sets:

assigned_chemical_shifts
- 0_m_urea_shifts
- 6_m_urea_chemical_shifts
coupling_constants
- coupling_constant_list
heteronucl_NOEs
- heteronuclear_noe_list_1
heteronucl_T2_relaxation
- T2

Data type	Count
13C chemical shifts	472
15N chemical shifts	162
1H chemical shifts	231
coupling constants	58
heteronuclear NOE values	62
T2 relaxation values	60

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Immunity protein 7	1

Entities:

Entity 1, Immunity protein 7 94 residues - 10717.6621 Da.

1

MET

GLU

HIS

GLU

LEU

2

LYS

ASN

SER

ILE

SER

ASP

TYR

THR

GLU

ALA

3

GLU

PHE

VAL

GLN

ALA

LYS

GLU

ILE

GLU

4

LYS

GLU

ASN

VAL

ALA

THR

ASP

VAL

5

LEU

ASP

VAL

ALA

LEU

GLU

HIS

PHE

VAL

LYS

6

ILE

THR

GLU

HIS

PRO

ASP

GLY

THR

ASP

LEU

7

ILE

TYR

PRO

SER

ASP

ASN

ARG

ASP

8

SER

PRO

GLU

GLY

ILE

VAL

LYS

GLU

ILE

LYS

9

GLU

TRP

ARG

ALA

ASN

GLY

LYS

PRO

GLY

10

PHE

LYS

GLN

GLY

Samples:

0.5mM: Molecule 1, [U-13C; U-15N], 0.5 mM; sodium phosphate 50 mM; sodium sulfate 0.2 M; EDTA 1 mM; H2O 90%; D2O 10%

urea: Molecule 1, [U-13C; U-15N], 0.5 mM; urea 6 M; sodium phosphate 50 mM; sodium sulfate 0.2 M; EDTA 1 mM; H2O 90%; D2O 10%

Normal: ionic strength: 0.610 M; pH: 7.000; pressure: 1.000 atm; temperature: 283.000 K

sample_conditions_urea: ionic strength: 0.610 M; pH: 7.000; pressure: 1.000 atm; temperature: 283.000 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D CBCA(CO)NH	0.5mM	isotropic	Normal
2D 1H-15N HSQC/HMQC	0.5mM	isotropic	Normal
3D HNCA	0.5mM	isotropic	Normal
HNCACO (H[N[ca[CO]]])	0.5mM	isotropic	Normal
3D HNCO	0.5mM	isotropic	Normal
3D HNCACB	0.5mM	isotropic	Normal
Expt_10 (h[N]_H[N].NOESY)	0.5mM	isotropic	Normal
Expt_12 (H{[N]+[HA]})	0.5mM	isotropic	Normal
Expt_13 (h[N]_H.NOESY)	0.5mM	isotropic	Normal
2D 1H-15N HSQC	urea	isotropic	sample_conditions_urea
3D HNCA	urea	isotropic	sample_conditions_urea
3D HNCO	urea	isotropic	sample_conditions_urea
3D HNCACO	urea	isotropic	sample_conditions_urea
3D CBCA(CO)NH	urea	isotropic	sample_conditions_urea

Software:

ANALYSIS v1.0, CCPN - Spectrum analysis, Spectrum display

NMRPipe vany, Frank Delagio, Stephan Grzesiek, Guang Zhu, Geerten W. Vuister, John Pfiefer and Ad Bax - spectrum analysis, Spectrum processing

NMR spectrometers:

Varian UnityInova 500 MHz
Varian UnityInova 749 MHz