BMRB Entry 20022

Name: 1H Chemical Shift Assignments for metastin analog, s5a
Published: 2011-02-14

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR20022

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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:

1H Chemical Shift Assignments for metastin analog, s5a

Deposition date:

2008-04-17

Original release date:

2011-02-14

Authors:

Jae il, Kim

Citation:

Citation: Lee, Ju Yeon; Moon, Jung Sun; Eu, Young-Jae; Lee, Chul Won; Yang, Sung-Tae; Lee, Seung Kyu; Jung, Hyun Ho; Kim, Ha Hyung; Rhim, Hyewhon; Seong, Jae Young; Kim, Jae Il. "Molecular interaction between kisspeptin decapeptide analogs and a lipid membrane" Arch. Biochem. Biophys. 485, 109-114 (2009).
PubMed: 19275876

Assembly members:

Assembly members:
GPCR_ligand_metastin_analog, polymer, 11 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: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
GPCR_ligand_metastin_analog: YNWNAFGLRFX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
coupling_constants
- coupling_constant_list_1

Data type	Count
1H chemical shifts	61
conformer coordinate sets	1
coupling constants	9

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	metastin analog	1

Entities:

Entity 1, metastin analog 11 residues - Formula weight is not available

1

TYR

ASN

TRP

ASN

ALA

PHE

GLY

LEU

ARG

PHE

2

NH2

Samples:

S5A: GPCR_ligand_metastin_analog 1 mM; DPC, [U-100% 2H], 100 mM

sample_conditions_1: pH: 3.5; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	S5A	isotropic	sample_conditions_1
2D 1H-1H TOCSY	S5A	isotropic	sample_conditions_1
2D DQF-COSY	S5A	isotropic	sample_conditions_1

Software:

CNS, Brunger - chemical shift calculation

NMR spectrometers:

Bruker Avance 600 MHz