BMRB Entry 30314

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PDB ID: 5wbt
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30314
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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 and Dynamics of an Ultra-Stable Single-Chain Insulin Analog STUDIES OF AN ENGINEERED MONOMER AND IMPLICATIONS FOR RECEPTOR BINDING

Deposition date: 2017-06-29 Original release date: 2017-11-08

Authors: Glidden, M.; Yang, Y.; Wickramasinghe, N.; Weiss, M.

Citation: Glidden, M.; Yang, Y.; Smith, N.; Phillips, N.; Wickramasinghe, N.; Ismail-Beigi, F.; Lawrence, M.; Smith, B.; Weiss, M.. "Solution Structure and Dynamics of an Ultra-Stable Single-Chain Insulin Analog STUDIES OF AN ENGINEERED MONOMER AND IMPLICATIONS FOR RECEPTOR BINDING" . ., .-..

Assembly members:
Insulin, polymer, 57 residues, 6515.308 Da.

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source: Production method: recombinant technology Host organism: Pichia

Entity Sequences (FASTA):
Insulin: FVNQHLCGSHLVEALYLVCG ERGFFYTDPTEEGPRRGIVE QCCHSICSLEQLENYCN

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	205
15N chemical shifts	48
1H chemical shifts	299

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 57 residues - 6515.308 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

ASP

PRO

THR

4

GLU

GLY

PRO

ARG

GLY

ILE

VAL

GLU

5

GLN

CYS

HIS

SER

ILE

CYS

SER

LEU

GLU

6

GLN

LEU

GLU

ASN

TYR

CYS

ASN

Samples:

sample_1: Single chain insulin SCI-b, [U-13C; U-15N], 1 mM

sample_conditions_1: ionic strength: 0 M; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
4D Time-shared NOESY	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D HCC-TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D (H)CC(CO)NH	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN - structure solution

X-PLOR, BRUNGER - refinement, structure solution

SPARKY - structure solution

NMR spectrometers:

Bruker Avance 700 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts