BMRB Entry 30657

Name: Solution Structure of a Heat-Resistant Long-Acting Insulin Analog
Published: 2020-08-21

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PDB ID: 6u46
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30657
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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 a Heat-Resistant Long-Acting Insulin Analog

Deposition date:

2019-08-23

Original release date:

2020-08-21

Authors:

Yang, Y.; Weiss, M.

Citation:

Citation: Weiss, M.; Yang, Y.. "Solution Structure of a Heat-Resistant Long-Acting Insulin Analog" .

Assembly members:

Assembly members:
entity_1, polymer, 59 residues, 6787.704 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 Host organism: Komagataella phaffii GS115

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: FVNQHLCGSHLVEALYLVCG ERGFFYTPRTEEGSRRSRGI VEQCCRSICSLYQLENYCG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
15N chemical shifts	60
1H chemical shifts	396

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 59 residues - 6787.704 Da.

1

PHE

VAL

ASN

GLN

HIS

LEU

CYS

GLY

SER

HIS

2

LEU

VAL

GLU

ALA

LEU

TYR

LEU

VAL

CYS

GLY

3

GLU

ARG

GLY

PHE

TYR

THR

PRO

ARG

THR

4

GLU

GLY

SER

ARG

SER

ARG

GLY

ILE

5

VAL

GLU

GLN

CYS

ARG

SER

ILE

CYS

SER

6

LEU

TYR

GLN

LEU

GLU

ASN

TYR

CYS

GLY

Samples:

sample_1: insulin, [U-99% 15N], 1 mM

sample_2: Single-chain insulin 1 mM

sample_conditions_2: ionic strength: 0 mM; pH: 3.4; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_2
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_2
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_2
2D 1H-1H TOCSY	sample_2	anisotropic	sample_conditions_2
2D 1H-1H NOESY	sample_2	anisotropic	sample_conditions_2

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - chemical shift assignment

PIPP, Garrett - data analysis

TopSpin, Bruker Biospin - collection

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

NMR spectrometers:

Bruker AVANCE 700 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks