BMRB Entry 4997

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR4997
MolProbity Validation Chart

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Title:
1H, 13C Chemical Shift Assignment of PT-insulin in H2O and 35% TFE
Deposition date:
2001-04-23
Original release date:
2001-05-21
Authors:
Keller, Danielle; Clausen, R.; Josefsen, Knud; Led, Jens
Citation:

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).
PubMed: 11524020

Assembly members:

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

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: Pichia pastoris   Vector: pPIC9

Entity Sequences (FASTA):

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

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

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
COSY with DQFnot availablenot availablenot available
TOCSY/NOESY with WaterGatenot availablenot availablenot available
HSQC: Gradient enhancednot availablenot availablenot available

Software:

NMRPipe - Fourier Transformation

XEASY - Cross peak integration, Resonance assignment

NMR spectrometers:

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

Related Database Links:

BMRB 1000 1002 1004 1006 1008 1010 1012 1014 1016 1018 1020 1022 1023 11016 1344 15464 1585 1587 1632 1761 4266 554 556 6203 6204 6205 936 994 996 998
PDB
EMBL CAA23424 CAA23475 CAA23828 CAA43403 CAA43405
GenBank AAA17540 AAA19033 AAA36849 AAA59172 AAA59173
PRF 0601246A 1006230A 550086A 560164B 580107B 640291A
REF NP_000198 NP_001008996 NP_001075804 NP_001103242 NP_001123565
SWISS-PROT P01308 P01311 P01315 P01321 P30406