BMRB Entry 16522

Name: A Doppel alpha-helix Peptide Fragment Mimics the Copper(II) Interactions with the whole Protein
Published: 2010-04-26

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16522

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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:

A Doppel alpha-helix Peptide Fragment Mimics the Copper(II) Interactions with the whole Protein

Deposition date:

2009-09-28

Original release date:

2010-04-26

Authors:

Isernia, Carla; La Mendola, Diego; Magri', Antonio

Citation:

Citation: La Mendola, Diego; Magri, Antonio; Campagna, Tiziana; Campitiello, Maria Anna; Raiola, Luca; Isernia, Carla; Hansson, Orjan; Bonomo, Raffaele; Rizzarelli, Enrico. "A Doppel alpha-Helix Peptide Fragment Mimics the Copper(II) Interactions with the Whole Protein." Chemistry 16, 6212-6223 (2010).
PubMed: 20411530

Assembly members:

Assembly members:
hDpl(122-139), polymer, 18 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
hDpl(122-139): KPDNKLHQQVLWRLVQEL

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
- assigned_chem_shift_list_2
coupling_constants
- coupling_constant_list_1
- coupling_constant_list_2

Data type	Count
1H chemical shifts	314
coupling constants	29

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	hDpl(122-139)	1

Entities:

Entity 1, hDpl(122-139) 18 residues - Formula weight is not available

1

LYS

PRO

ASP

ASN

LYS

LEU

HIS

GLN

VAL

2

LEU

TRP

ARG

LEU

VAL

GLN

GLU

LEU

Samples:

sample_1: hDpl(122-139) 1.2 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 4.0; pressure: 1 atm; temperature: 300 K

sample_conditions_2: pH: 5.5; pressure: 1 atm; temperature: 300 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_2
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_2
2D DQF-COSY	sample_1	isotropic	sample_conditions_2

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - chemical shift assignment

VNMRJ, Varian - processing

NMR spectrometers:

Varian INOVA 500 MHz

PDB	1LG4
DBJ	BAG36200
GB	AAF02424 AAG43448 AAG43449 AAH43644 AAQ89344
REF	NP_036541 XP_003779349
SP	Q9UKY0
AlphaFold	Q9UKY0