BMRB Entry 18378

Name: Liraglutide
Published: 2013-07-08

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PDB ID: 4apd
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18378
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:

Liraglutide

Deposition date:

2012-04-03

Original release date:

2013-07-08

Authors:

Ludvigsen, Svend; Steensgaard, D.; Thomsen, J.; Strauss, H.; Normann, M.

Citation:

Citation: Steensgaard, D.; Thomsen, J.; Strauss, H.; Normann, M.; Ludvigsen, Svend. "unknown at present" unknown at present ., .-..

Assembly members:

Assembly members:
LIRAGLUTIDE, polymer, 31 residues, 3751.20 Da.
N-hexadecanoyl-L-glutamic acid, non-polymer, 385.538 Da.

Natural source:

Natural source: Common Name: baker's yeast Taxonomy ID: 4932 Superkingdom: Eukaryota Kingdom: Fungi Genus/species: Saccharomyces cerevisiae

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
LIRAGLUTIDE: HAEGTFTSDVSSYLEGQAAK EFIAWLVRGRG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list

Data type	Count
1H chemical shifts	196

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	LIRAGLUTIDE	1
2	N-HEXADECANOYL-L-GLUTAMIC ACID	2

Entities:

Entity 1, LIRAGLUTIDE 31 residues - 3751.20 Da.

1

HIS

ALA

GLU

GLY

THR

PHE

THR

SER

ASP

VAL

2

SER

TYR

LEU

GLU

GLY

GLN

ALA

LYS

3

GLU

PHE

ILE

ALA

TRP

LEU

VAL

ARG

GLY

ARG

4

GLY

Entity 2, N-HEXADECANOYL-L-GLUTAMIC ACID - C21 H39 N O5 - 385.538 Da.

1

D6M

Samples:

sample_1: LIRAGLUTIDE, [U-13C; U-15N], 1.6 mM

sample_conditions_1: ionic strength: 0.0 mM; pH: 7.900; pressure: 1.000 atm; temperature: 300.000 K

Experiments:

Name	Sample	Sample state	Sample conditions
NOESY	sample_1	solution	sample_conditions_1
TOCSY	sample_1	solution	sample_conditions_1

Software:

AutoDep v4.3, AutoDep - collection

CNX vany, CNX - chemical shift assignment

PRONTO vany, Kjur, Andersen and Poulsen - chemical shift assignment

X-PLOR vany, Brunger - chemical shift assignment

NMR spectrometers:

Bruker AMX 600 MHz