BMRB Entry 17291

Name: A novel design concept: New Y-receptor agonists with increased membrane recruitment, Y2 affinity and selectivity
Published: 2014-03-04

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PDB ID: 2l60
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17291
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:

A novel design concept: New Y-receptor agonists with increased membrane recruitment, Y2 affinity and selectivity

Deposition date:

2010-11-11

Original release date:

2014-03-04

Authors:

Pedersen, Soren; Jurt, Simon; Zerbe, Oliver; Jensen, Knud

Citation:

Citation: Pedersen, Soren; Bhatia, Vikrram; Jurt, Simon; Pedersen, Maria; Stamou, Dimitrios; Zerbe, Oliver; Holst, Brigitte; Vrang, Niels; Jensen, Knud. "Improving membrane binding as a design strategy for amphipathic peptide hormones: 2-helix variants of PYY3-36" J. Pept. Sci. 18, 579-587 (2012).
PubMed: 22865741

Assembly members:

Assembly members:
entity_1, polymer, 41 residues, 5104.971 Da.

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: YLERELKKLERELKKLSPEE LNRYYASLRHYLNLVTRQRY

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	323

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PYY	1

Entities:

Entity 1, PYY 41 residues - 5104.971 Da.

1	TYR	LEU	GLU	ARG	GLU	LEU	LYS	LYS	LEU	GLU
2	ARG	GLU	LEU	LYS	LYS	LEU	SER	PRO	GLU	GLU
3	LEU	ASN	ARG	TYR	TYR	ALA	SER	LEU	ARG	HIS
4	TYR	LEU	ASN	LEU	VAL	THR	ARG	GLN	ARG	TYR

Samples:

sample_1: PYY 1 mM; DPC 300 mM; MES 20 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 5.5; pressure: 1 atm; temperature: 310 K

Experiments:

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

Software:

CYANA v3.0, P.GUNTERT ET AL. - structure solution

AMBER v6, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm - refinement

XEASY v1.2, Bartels C, Xia TH, Billeter M, Guentert P, Wuethrich K - data analysis

NMR spectrometers:

Bruker Avance 700 MHz
Bruker Avance 600 MHz

1	TYR	LEU	GLU	ARG	GLU	LEU	LYS	LYS	LEU	GLU
2	ARG	GLU	LEU	LYS	LYS	LEU	SER	PRO	GLU	GLU
3	LEU	ASN	ARG	TYR	TYR	ALA	SER	LEU	ARG	HIS
4	TYR	LEU	ASN	LEU	VAL	THR	ARG	GLN	ARG	TYR

1	TYR	LEU	GLU	ARG	GLU	LEU	LYS	LYS	LEU	GLU
2	ARG	GLU	LEU	LYS	LYS	LEU	SER	PRO	GLU	GLU
3	LEU	ASN	ARG	TYR	TYR	ALA	SER	LEU	ARG	HIS
4	TYR	LEU	ASN	LEU	VAL	THR	ARG	GLN	ARG	TYR