BMRB Entry 17895

Name: NOE-based 3D structure of the monomer of CylR2 in equilibrium with predissociated homodimer at 266K (-7 Celsius degrees)
Published: 2013-02-15

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PDB ID: 2lyp
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17895
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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:

NOE-based 3D structure of the monomer of CylR2 in equilibrium with predissociated homodimer at 266K (-7 Celsius degrees)

Deposition date:

2011-08-29

Original release date:

2013-02-15

Authors:

Jaremko, Mariusz; Jaremko, Lukasz; Kim, Hai-Young; Cho, Min-Kyu; Schwieters, Charles; Giller, Karin; Becker, Stefan; Zweckstetter, Markus

Citation:

Citation: Jaremko, Mariusz; Jaremko, Lukasz; Kim, Hai-Young; Cho, Min-Kyu; Schwieters, Charles; Giller, Karin; Becker, Stefan; Zweckstetter, Markus. "Cold denaturation of a protein dimer monitored at atomic resolution." Nat. Chem. Biol. 9, 264-270 (2013).
PubMed: 23396077

Assembly members:

Assembly members:
CylR2, polymer, 66 residues, 7725.070 Da.

Natural source:

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: PET32A

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CylR2: MIINNLKLIREKKKISQSEL AALLEVSRQTINGIEKNKYN PSLQLALKIAYYLNTPLEDI FQWQPE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	202
15N chemical shifts	72
1H chemical shifts	443

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CylR2	1

Entities:

Entity 1, CylR2 66 residues - 7725.070 Da.

1

MET

ILE

ASN

LEU

LYS

LEU

ILE

ARG

2

GLU

LYS

ILE

SER

GLN

SER

GLU

LEU

3

ALA

LEU

GLU

VAL

SER

ARG

GLN

THR

4

ILE

ASN

GLY

ILE

GLU

LYS

ASN

LYS

TYR

ASN

5

PRO

SER

LEU

GLN

LEU

ALA

LEU

LYS

ILE

ALA

6

TYR

LEU

ASN

THR

PRO

LEU

GLU

ASP

ILE

7

PHE

GLN

TRP

GLN

PRO

GLU

Samples:

sample_1: CylR2, [U-100% 13C; U-100% 15N], 0.52 ± 0.05 mM; sodium chloride 600 mM; HEPES 50 mM; H2O 93%; D2O 7%

sample_conditions_1: ionic strength: 0.6 M; pH: 7.0; pressure: 1 atm; temperature: 266 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1

Software:

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution

X-PLOR NIH v2.28, Schwieters, Kuszewski, Tjandra and Clore - refinement

SPARKY, Goddard - chemical shift assignment, peak picking

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

NMR spectrometers:

Bruker Avance III 700 MHz

BMRB	17892 17893 17894 17896 17897 17898
PDB	1UTX 2GZU 2LYJ 2LYK 2LYL 2LYP 2LYQ 2LYR 2LYS 2XI8 2XIU 2XJ3
GB	AAL59476 AAL60140 AAM75247 AAO80372 AIL03173
REF	NP_814301 WP_002358483 WP_002370931 WP_010773902 WP_048951311