BMRB Entry 34433

Name: Protein allostery of the WW domain at atomic resolution
Published: 2020-10-05

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PDB ID: 6sve
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR34433
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:

Protein allostery of the WW domain at atomic resolution

Deposition date:

2019-09-18

Original release date:

2020-10-05

Authors:

Strotz, D.; Orts, J.; Friedmann, M.; Guntert, P.; Vogeli, B.; Riek, R.

Citation:

Citation: Strotz, D.; Orts, J.; Kadavath, H.; Friedmann, M.; Ghosh, D.; Olsson, S.; Chi, C.; Guntert, P.; Vogeli, B.; Riek, R.. "Protein Allostery at Atomic Resolution" Angew. Chem. Int. Ed. Engl. 59, 22132-22139 (2020).
PubMed: 32797659

Assembly members:

Assembly members:
entity_1, polymer, 35 residues, 4105.579 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: SKLPPGWEKRMSRNSGRVYY FNHITNASQFERPSG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	103
15N chemical shifts	36
1H chemical shifts	229

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 35 residues - 4105.579 Da.

1

SER

LYS

LEU

PRO

GLY

TRP

GLU

LYS

ARG

2

MET

SER

ARG

ASN

SER

GLY

ARG

VAL

TYR

3

PHE

ASN

HIS

ILE

THR

ASN

ALA

SER

GLN

PHE

4

GLU

ARG

PRO

SER

GLY

Samples:

sample_1: Pin1 WW domain, [U-100% 13C; U-100% 15N], 1.2 mM; pCdc25C 4.8 mM; K2PO4 10 mM; NaCl 100 mM; NaN3 0.02%

sample_conditions_1: ionic strength: 0.15 M; pH: 6.0; pressure: 1 atm; temperature: 277.15 K

Experiments:

Name	Sample	Sample state	Sample conditions
NOESY	sample_1	isotropic	sample_conditions_1

Software:

CYANA v3.98.12, Guntert, Buchner - structure calculation

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

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - peak picking

CcpNmr Analysis, CCPN - chemical shift assignment

NMR spectrometers:

Bruker AVANCE III 700 MHz

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