BMRB Entry 26889

Name: 1H, 13C assignments for bovine insulin
Published: 2016-09-14

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PDB ID: 5miz
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR26889
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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:

1H, 13C assignments for bovine insulin

Deposition date:

2016-09-08

Original release date:

2016-09-14

Authors:

Efimov, Sergey; Zgadzay, Yuriy; Klochkov, Vladimir

Citation:

Citation: Zgadzay, Yuriy; Efimov, Sergey; Klochkov, Vladimir. "Spectroscopic and Structural Data for Bovine Insulin obtained by NMR" .

Assembly members:

Assembly members:
bovine_insulin, polymer, 51 residues, Formula weight is not available

Natural source:

Natural source: Common Name: cow Taxonomy ID: 9913 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Bos taurus

Experimental source:

Experimental source: Production method: obtained from a vendor Host organism: Bos taurus

Entity Sequences (FASTA):

Entity Sequences (FASTA):
bovine_insulin: GIVEQCCASVCSLYQLENYC NFVNQHLCGSHLVEALYLVC GERGFFYTPKA

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	179
1H chemical shifts	359

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	bovine insulin, chain A and B	1

Entities:

Entity 1, bovine insulin, chain A and B 51 residues - Formula weight is not available

Chain A: GIVEQCCASVCSLYQLENYCN Chain B: FVNQHLCGSHLVEALYLVCGERGFFYTPKA

1

GLY

ILE

VAL

GLU

GLN

CYS

ALA

SER

VAL

2

CYS

SER

LEU

TYR

GLN

LEU

GLU

ASN

TYR

CYS

3

ASN

PHE

VAL

ASN

GLN

HIS

LEU

CYS

GLY

SER

4

HIS

LEU

VAL

GLU

ALA

LEU

TYR

LEU

VAL

CYS

5

GLY

GLU

ARG

GLY

PHE

TYR

THR

PRO

LYS

6

ALA

Samples:

sample_1: bovine insulin 1.1 mM

sample_conditions_1: pH: 2.86; pressure: 1 atm; temperature: 293 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
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY, Goddard - chemical shift assignment, peak picking

TOPSPIN v3.2, Bruker Biospin - collection

NMR spectrometers:

Bruker Avance 700 MHz