BMRB Entry 19503

Name: Circular Permutant of the WW Domain with Loop 1 Excised
Published: 2014-01-13

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PDB ID: 2mdu
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19503
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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:

Circular Permutant of the WW Domain with Loop 1 Excised

Deposition date:

2013-09-18

Original release date:

2014-01-13

Authors:

Kier, Brandon

Citation:

Citation: Kier, Brandon; Anderson, Jordan; Andersen, Niels. "Circular Permutation of a WW Domain: Folding Still Occurs after Excising the Turn of the Folding-Nucleating Hairpin." J. Am. Chem. Soc. 136, 741-749 (2014).
PubMed: 24350581

Assembly members:

Assembly members:
entity, polymer, 29 residues, 3794.438 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: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: RWFYFNRITGKRQFERPKGL VKGWEKRWD

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	225

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	WW Domain with Loop 1 Excised	1

Entities:

Entity 1, WW Domain with Loop 1 Excised 29 residues - 3794.438 Da.

Residues 18-22 are a non-native loop that replaces and joins the N and C terminal regions of the standard-topology WW domain.

1

ARG

TRP

PHE

TYR

PHE

ASN

ARG

ILE

THR

GLY

2

LYS

ARG

GLN

PHE

GLU

ARG

PRO

LYS

GLY

LEU

3

VAL

LYS

GLY

TRP

GLU

LYS

ARG

TRP

ASP

Samples:

sample_1: WW Domain with Loop 1 Excised 1.2 mM; sodium phosphate 50 mM; DSS 0.5 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.11 M; pH: 6.5; pressure: 1 atm; temperature: 280 K

Experiments:

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

Software:

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution

SPARKY, Goddard - chemical shift assignment, data analysis

NMR spectrometers:

Bruker Avance 700 MHz