BMRB Entry 19929

Name: HP24stab derived from the villin headpiece subdomain
Published: 2015-02-16

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PDB ID: 4cz4
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19929
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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:

HP24stab derived from the villin headpiece subdomain

Deposition date:

2014-04-23

Original release date:

2015-02-16

Authors:

Hocking, Henry; Haese, F.; Madl, T.; Zacharias, M.; Rief, M.; Zoldak, G.

Citation:

Citation: Hocking, Henry; Haese, F.; Madl, T.; Zacharias, M.; Rief, M.; Zoldak, G.. "A new minimal native-like compact supersecondary substructure HP24stab derived from the villin headpiece subdomain" To Be Published ., .-..

Assembly members:

Assembly members:
VILLIN-1, polymer, 26 residues, 2853.4511 Da.

Natural source:

Natural source: Common Name: chicken Taxonomy ID: 9031 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Gallus gallus

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
VILLIN-1: XMTRSAFANLPLWKQQALMK EKGLFX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list

Data type	Count
13C chemical shifts	79
15N chemical shifts	24
1H chemical shifts	173

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	VILLIN-1	1

Entities:

Entity 1, VILLIN-1 26 residues - 2853.4511 Da.

1

ACE

MET

THR

ARG

SER

ALA

PHE

ALA

ASN

LEU

2

PRO

LEU

TRP

LYS

GLN

ALA

LEU

MET

LYS

3

GLU

LYS

GLY

LEU

PHE

NH2

Samples:

sample_1: VILLIN-1, [U-13C; U-15N], 3 mM

sample_conditions_1: ionic strength: 50.000 mM; pH: 7.500; pressure: 1 atm; temperature: 288.000 K

Experiments:

Name	Sample	Sample state	Sample conditions
NOESY	sample_1	solution	sample_conditions_1
TOCSY	sample_1	solution	sample_conditions_1

Software:

AutoDep v4.3, PDBe - chemical shift assignment

CNS vany, Brunger, Adams, Clore, Gros, Nilges and Read - chemical shift assignment

CYANA vany, Guntert, Mumenthaler and Wuthrich - chemical shift assignment

NMR spectrometers:

Bruker Avance 500 MHz

UNP	VILI_CHICK
PDB	4CZ4
AlphaFold	P02640