BMRB Entry 20030

Name: 13C, 1H chemical shifts and structure of apelin 17(human form, major conformation) at 5C
Published: 2009-02-04

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR20030

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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:

13C, 1H chemical shifts and structure of apelin 17(human form, major conformation) at 5C

Deposition date:

2008-07-03

Original release date:

2009-02-04

Authors:

Langelaan, David; Bebbington, E.; Reddy, Tyler; Rainey, Jan

Citation:

Citation: Langelaan, David; Bebbington, E.; Reddy, Tyler; Rainey, Jan. "Structural insight into G-protein coupled receptor binding by apelin" Biochemistry 48, 537-548 (2009).
PubMed: 19123778

Assembly members:

Assembly members:
Apelin_17, polymer, 17 residues, 2145.619 Da.

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):
Apelin_17: KFRRQRPRLSHKGPMPF

Data sets:

assigned_chemical_shifts
- Assigned_Chemical_Shifts
coupling_constants
- coupling_constant_list_1

Data type	Count
1H chemical shifts	145
13C chemical shifts	61
coupling constants	13

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Apelin 17	1

Entities:

Entity 1, Apelin 17 17 residues - 2145.619 Da.

1

LYS

PHE

ARG

GLN

ARG

PRO

ARG

LEU

SER

2

HIS

LYS

GLY

PRO

MET

PRO

PHE

Samples:

Apelin_17_sample: Apelin 17 4 ± 0.4 mM; DSS 1 mM; sodium azide 1 mM; Sodium Acetate, [U-99% 2H], 20 mM

5C: pH: 5; temperature: 278 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-13C HSQC	Apelin_17_sample	isotropic	5C
2D 1H-1H TOCSY	Apelin_17_sample	isotropic	5C
2D 1H-1H NOESY	Apelin_17_sample	isotropic	5C
2D DQF-COSY	Apelin_17_sample	isotropic	5C

Software:

VNMR, Varian - collection

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY, Goddard - chemical shift assignment, peak picking

TOPSPIN, Bruker Biospin - collection

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution

NMR spectrometers:

Varian INOVA 800 MHz
Bruker Avance 500 MHz

BMRB	16275 20029 20031 20082
DBJ	BAA84974 BAA84975 BAA84976 BAA84977 BAC31156
EMBL	CAC83678
GB	AAF25814 AAF25815 AAH20015 AAH21104 AAH80843
REF	NP_001177797 NP_038940 NP_059109 NP_113800 NP_776928
SP	Q9R0R3 Q9R0R4 Q9TUI9 Q9ULZ1
TPG	DAA13389
AlphaFold	Q9R0R3 Q9R0R4 Q9TUI9 Q9ULZ1