BMRB Entry 19070

Name: SOLUTION STRUCTURE OF LIPIDATED GLUCAGON ANALOG IN WATER
Published: 2013-03-25

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PDB ID: 2m5p
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19070
MolProbity Validation Chart

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

SOLUTION STRUCTURE OF LIPIDATED GLUCAGON ANALOG IN WATER

Deposition date:

2013-03-03

Original release date:

2013-03-25

Authors:

Ward, B.; Ma, D.

Citation:

Citation: Ward, Brian; Ottaway, Nickki; Perez-Tilve, Diego; Ma, Dejian; Gelfanov, Vasily; Tschop, Matthias; Dimarchi, Richard. "Peptide lipidation stabilizes structure to enhance biological function." Mol Metab 2, 468-479 (2013).
PubMed: 24327962

Assembly members:

Assembly members:
GLUCAGON_AIB2-16_LYS13-GAMMAGLU-GAMMAGLU-C16_AMIDE, polymer, 30 residues, 4269.445 Da.
entity_GGL, non-polymer, 147.129 Da.
entity_PLM, non-polymer, 256.424 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):
GLUCAGON_AIB2-16_LYS13-GAMMAGLU-GAMMAGLU-C16_AMIDE: HXQGTFTSDYSKKLDXRRAQ DFVQWLMNTX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	219

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	GLUCAGON AIB2,16 LYS13-GAMMAGLU-GAMMAGLU-C16 AMIDE	1
2	GGL, 1	2
3	GGL, 2	2
4	PLM	3

Entities:

Entity 1, GLUCAGON AIB2,16 LYS13-GAMMAGLU-GAMMAGLU-C16 AMIDE 30 residues - 4269.445 Da.

1	HIS	AIB	GLN	GLY	THR	PHE	THR	SER	ASP	TYR
2	SER	LYS	LYS	LEU	ASP	AIB	ARG	ARG	ALA	GLN
3	ASP	PHE	VAL	GLN	TRP	LEU	MET	ASN	THR	NH2

Entity 2, GGL, 1 - C5 H9 N O4 - 147.129 Da.

1

GGL

Entity 3, PLM - C16 H32 O2 - 256.424 Da.

1

PLM

Samples:

sample_1: GLUCAGON AIB2,16 LYS13-GAMMAGLU-GAMMAGLU-C16 AMIDE 0.7 mM; sodium phosphate 20 mM

sample_conditions_1: ionic strength: 0.02 M; pH: 4.7; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

X-PLOR NIH, BRUNGER - refinement

NMR spectrometers:

Varian Uniform NMR System 800 MHz

1	HIS	AIB	GLN	GLY	THR	PHE	THR	SER	ASP	TYR
2	SER	LYS	LYS	LEU	ASP	AIB	ARG	ARG	ALA	GLN
3	ASP	PHE	VAL	GLN	TRP	LEU	MET	ASN	THR	NH2

1	HIS	AIB	GLN	GLY	THR	PHE	THR	SER	ASP	TYR
2	SER	LYS	LYS	LEU	ASP	AIB	ARG	ARG	ALA	GLN
3	ASP	PHE	VAL	GLN	TRP	LEU	MET	ASN	THR	NH2