BMRB Entry 19911

Name: HP24wt derived from the villin headpiece subdomain
Published: 2015-02-16

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PDB ID: 4cz3
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19911
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:

HP24wt derived from the villin headpiece subdomain

Deposition date:

2014-04-16

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, 2894.4654 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: XMTRSAFANLPLWKQQNLKK EKGLFX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list

Data type	Count
13C chemical shifts	73
15N chemical shifts	18
1H chemical shifts	151

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 - 2894.4654 Da.

1

ACE

MET

THR

ARG

SER

ALA

PHE

ALA

ASN

LEU

2

PRO

LEU

TRP

LYS

GLN

ASN

LEU

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 - collection

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
BMRB	11519 11520 11521 15097 17698 4428
PDB	1QQV 1VII 1YU5 1YU8 2RJV 2RJW 2RJX 2RJY 3MYA 3MYC 4CZ3
GB	AAA49133
REF	NP_990773 XP_003207697 XP_010711916 XP_010711917
SP	P02640
AlphaFold	P02640 P02640