BMRB Entry 52114

Name: thermostable WW domain basic scaffold to design functional b-sheet miniproteins
Published: 2024-06-27

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PDB ID: 8qtq
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52114
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:

thermostable WW domain basic scaffold to design functional b-sheet miniproteins

Deposition date:

2023-09-07

Original release date:

2024-06-27

Authors:

Kovermann, Michael

Citation:

Citation: Lindner, Christina; Friemel, Anke; Schwegler, Niklas; Timmermann, Lisa; Pham, Truc Lam; Reusche, Vanessa; Kovermann, Michael; Thomas, Franziska. "Thermostable WW-Domain Scaffold to Design Functional beta-Sheet Miniproteins" J. Am. Chem. Soc. ., .-. (2024).
PubMed: 38853610

Assembly members:

Assembly members:
entity_1, polymer, 34 residues, Formula weight is not available

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_1: PLPPGWEIRIESGSGRIYYY NSITKTTTWERPRL

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	123
15N chemical shifts	32
1H chemical shifts	248

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	b-sheet miniproteins	1

Entities:

Entity 1, b-sheet miniproteins 34 residues - Formula weight is not available

1

PRO

LEU

PRO

GLY

TRP

GLU

ILE

ARG

ILE

2

GLU

SER

GLY

SER

GLY

ARG

ILE

TYR

3

ASN

SER

ILE

THR

LYS

THR

TRP

GLU

4

ARG

PRO

ARG

LEU

Samples:

sample_1: cl033 1 mM; NaCl 137 mM; KCl 2.7 mM; Na2HPO4 10 mM; KH2PO4 1.8 mM

sample_conditions_1: pH: 7.5; pressure: 1 atm; temperature: 293 K

Experiments:

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

Software:

TOPSPIN - chemical shift assignment, collection, data analysis, peak picking

ARIA - structure solution

NMR spectrometers:

Bruker AVANCE III 600 MHz
Bruker AVANCE NEO 800 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks