BMRB Entry 6068

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PDB ID: 1ru5
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR6068
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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:

Solution structure of porcine peptide YY (pPYY) in solution and bound to DPC micelles

Deposition date:

2004-01-08

Original release date:

2008-07-17

Authors:

Zerbe, O.; Lerch, M.; Mayrhofer, M.

Citation:

Citation: Lerch, M.; Mayrhofer, M.; Zerbe, O.. "Structural Similarities of micelle-bound peptide YY (PYY) and neuropeptide Y (NPY) are related to their affinity profiles at the Y receptors." J. Biol. Chem. 339, 1153-1168 (2004).
PubMed: 15178255

Assembly members:

Assembly members:
Peptide YY, polymer, 37 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Pig Taxonomy ID: 9823 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Sus scrofa

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Peptide YY: YPAKPEAPGEDASPEELSRY YASLRHYLNLVTRQRYX

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1
- chemical_shift_set_2
coupling_constants
- coupling_constants_set_1
- coupling_constants_set_2

Data type	Count
1H chemical shifts	499
15N chemical shifts	31
coupling constants	62

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Peptide YY	1

Entities:

Entity 1, Peptide YY 37 residues - Formula weight is not available

1

TYR

PRO

ALA

LYS

PRO

GLU

ALA

PRO

GLY

GLU

2

ASP

ALA

SER

PRO

GLU

LEU

SER

ARG

TYR

3

TYR

ALA

SER

LEU

ARG

HIS

TYR

LEU

ASN

LEU

4

VAL

THR

ARG

GLN

ARG

TYR

NH2

Samples:

sample_1: Peptide YY 2 mM; H2O 90%; D2O 10%

sample_2: Peptide YY 2 mM; D2O 99%

sample_3: Peptide YY, [U-15N], 1 mM; H2O 90%; D2O 10%

sample_4: Peptide YY 2 mM; d38-DPC 300 mM; H2O 90%; D2O 10%

sample_5: Peptide YY 2 mM; d38-DPC 300 mM; D2O 99%

sample_6: Peptide YY, [U-15N], 1 mM; d38-DPC 300 mM; H2O 90%; D2O 10%

sample_cond_1: pH: 4.2; temperature: 301 K; pressure: 1 atm

sample_cond_2: pH: 5.5; temperature: 310 K; pressure: 1 atm

Experiments:

Name	Sample	Sample state	Sample conditions
2D NOESY	not available	not available	not available
15N{1H}-NOE	not available	not available	not available

Software:

XWINNMR v3.0 - collection

XEASY v2.51 - data analysis

DYANA v1.5 - structure solution

AMBER v6 - refinement

NMR spectrometers:

Bruker DRX 500 MHz
Bruker DRX 600 MHz
Bruker AVANCE 700 MHz

BMRB	4842
PDB	1QBF 1RU5 1RUU 2OON 2OOP 2RLK
DBJ	BAE20675 BAE46747
GB	AAA41222 AAB19752 AAG42908 AAH10821 AEY83942
PRF	1407279A
REF	NP_001029252 NP_001243457 NP_663410 XP_001113958 XP_001491077
SP	P10631 P68004 P68005 Q9EPS2
AlphaFold	P10631 P68004 P68005 Q9EPS2 P10631 P68004 P68005 Q9EPS2