BMRB Entry 17731

Name: Structural Plasticity of Paneth cell alpha-Defensins: Characterization of Salt-Bridge Deficient Analogues of Mouse Cryptdin-4
Published: 2012-05-09

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PDB ID: 2lew
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17731
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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:

Structural Plasticity of Paneth cell alpha-Defensins: Characterization of Salt-Bridge Deficient Analogues of Mouse Cryptdin-4

Deposition date:

2011-06-24

Original release date:

2012-05-09

Authors:

Rosengren, K. Johan; Andersson, Hakan; Haugaard-Kedstrom, Linda; Bengtsson, Elina; Daly, Norelle; Craik, David

Citation:

Citation: Andersson, Hakan; Figueredo, Sharel; Haugaard-Kedstrom, Linda; Bengtsson, Elina; Daly, Norelle; Qu, Xiaoqing; Craik, David; Ouellette, Andre; Rosengren, K. Johan. "The -defensin salt-bridge induces backbone stability to facilitate folding and confer proteolytic resistance." Amino Acids 43, 1471-1483 (2012).
PubMed: 22286872

Assembly members:

Assembly members:
entity, polymer, 32 residues, 3699.551 Da.

Natural source:

Natural source: Common Name: Mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: GLLCYCRKGHCKRGGRVRGT CGIRFLYCCPRR

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	205

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	(E15G)-Crp4	1

Entities:

Entity 1, (E15G)-Crp4 32 residues - 3699.551 Da.

1

GLY

LEU

CYS

TYR

CYS

ARG

LYS

GLY

HIS

2

CYS

LYS

ARG

GLY

ARG

VAL

ARG

GLY

THR

3

CYS

GLY

ILE

ARG

PHE

LEU

TYR

CYS

PRO

4

ARG

Samples:

sample_1: (E15G)-Crp4 0.3 mg; H2O 90%; D2O 10%

sample_conditions_1: pH: 4; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

NMR spectrometers:

Bruker Avance 500 MHz
Bruker Avance 600 MHz
Bruker Avance 900 MHz