BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 4997

Title: 1H, 13C Chemical Shift Assignment of PT-insulin in H2O and 35% TFE   PubMed: 11524020

Authors: Keller, Danielle; Clausen, R.; Josefsen, Knud; Led, Jens

Citation: Keller, Danielle; Clausen, R.; Josefsen, Knud; Led, Jens. "Flexibility and Bioactivity of Insulin: an NMR Investigation of the Solution Structure and Folding of an Unusually Flexible Human Insulin Mutant with Increased Biological Activity"  Biochemistry 40, 10732-10740 (2001).

Assembly members:
Insulin, polymer, 21 residues, Formula weight is not available
Insulin, polymer, 30 residues, Formula weight is not available

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 pastoris

Entity Sequences (FASTA):
Insulin: GIVEQCCTSICSLYQLENYC N
Insulin: FVNQHLCGSHLVEALYLVCG ERGFFYPTKT

Data sets:
Data typeCount
1H chemical shifts546
13C chemical shifts109

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1PT-insulin A chain1
2PT-insulin B chain2

Entities:

Entity 1, PT-insulin A chain 21 residues - Formula weight is not available

1   GLYILEVALGLUGLNCYSCYSTHRSERILE
2   CYSSERLEUTYRGLNLEUGLUASNTYRCYS
3   ASN

Entity 2, PT-insulin B chain 30 residues - Formula weight is not available

1   PHEVALASNGLNHISLEUCYSGLYSERHIS
2   LEUVALGLUALALEUTYRLEUVALCYSGLY
3   GLUARGGLYPHEPHETYRPROTHRLYSTHR

Samples:

sample_1: Insulin 2.8 mM; Insulin 2.8 mM; H2O 90%; D2O 10%

sample_2: Insulin 2.8 mM; Insulin 2.8 mM; H2O 65%; TFE 35%

cond_H2O: pH: 3.13; temperature: 298 K

cond_TFE: pH: 3.23; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
Standard experiments.not availablenot availablenot available
COSY with DQFnot availablenot availablenot available
TOCSY/NOESY with WaterGatenot availablenot availablenot available
HSQC: Gradient enhancednot availablenot availablenot available

Software:

NMRPipe - Fourier Transformation

XEASY - Resonance assignment, Cross peak integration

NMR spectrometers:

  • Varian INOVA 500 MHz
  • Varian INOVA 750 MHz
  • Varian INOVA 800 MHz

Related Database Links:

BMRB 1023 4266 937
PDB
PRF 640291A 640291A