BMRB Entry 19979

Name: Solution structure of B24G insulin
Published: 2014-12-22

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PDB ID: 2mpi
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19979
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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 B24G insulin

Deposition date:

2014-05-19

Original release date:

2014-12-22

Authors:

Yang, Yanwu; Wickramasinghe, Nalinda; Hua, Qingxin; Weiss, Michael

Citation:

Citation: Menting, John; Yang, Yanwu; Chan, Shu; Phillips, Nelson; Smith, Brian; Whittaker, Jonathan; Wickramasinghe, Nalinda; Whittaker, Linda; Pandyarajan, Vijay; Wan, Zhu-li; Yadav, Satya; Carroll, Julie; Strokes, Natalie; Roberts, Charles; Ismail-Beigi, Faramarz; Milewski, Wieslawa; Steiner, Donald; Chauhan, Virander; Ward, Colin; Weiss, Michael; Lawrence, Michael. "Protective hinge in insulin opens to enable its receptor engagement" Proc. Natl. Acad. Sci. U.S.A. 111, E3395-E3404 (2014).
PubMed: 25092300

Assembly members:

Assembly members:
entity, polymer, 51 residues, 5686.482 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: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: GIVEQCCTSICSLYQLENYC NFVNQHLCGSDLVEALYLVC GERGGFYTKPT

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	261

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	B24G insulin	1

Entities:

Entity 1, B24G insulin 51 residues - 5686.482 Da.

1

GLY

ILE

VAL

GLU

GLN

CYS

THR

SER

ILE

2

CYS

SER

LEU

TYR

GLN

LEU

GLU

ASN

TYR

CYS

3

ASN

PHE

VAL

ASN

GLN

HIS

LEU

CYS

GLY

SER

4

ASP

LEU

VAL

GLU

ALA

LEU

TYR

LEU

VAL

CYS

5

GLY

GLU

ARG

GLY

PHE

TYR

THR

LYS

PRO

6

THR

Samples:

sample_1: entity 0.3 mM

sample_2: entity 0.3 mM

sample_conditions_1: temperature: 273 K; pH: 8; pressure: 1 atm; ionic strength: 0.5 mM

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_1
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_2	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1

Software:

InsightII, Accelrys Software Inc. - structure solution

X-PLOR, Brunger - refinement

xwinnmr, Bruker Biospin - collection

VNMR, Varian - data analysis

NMR spectrometers:

Bruker Avance 700 MHz
Bruker Avance 700 MHz