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 16915

Title: Human Insulin Mutant A22Gly-B31Lys-B32Arg   PubMed: 21704065

Authors: Bocian, Wojciech; Kozerski, Lech

Citation: Borowicz, Piotr; Bocian, Wojciech; Sitkowski, Jerzy; Bednarek, Elbieta; Mikiewicz-Sygua, Diana; Baej-Sosnowska, Sylwia; Bogiel, Monika; Rusek, Dorota; Kurzynoga, Dariusz; Kozerski, Lech. "Novel recombinant insulin analogue with flexible C-terminus in B chain. NMR structure of biosynthetic engineered A22G-B31K-B32R human insulin monomer in water/acetonitrile solution."  Int. J. Biol. Macromol. 49, 548-554 (2011).

Assembly members:
entity, chain 1, polymer, 22 residues, 2440.752 Da.
entity, chain 2, polymer, 32 residues, 3720.357 Da.

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Eubacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
entity, chain 1: GIVEQCCTSICSLYQLENYC NG
entity, chain 2: FVNQHLCGSHLVEALYLVCG ERGFFYTPKTKR

Data sets:
Data typeCount
1H chemical shifts351

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity, chain 11
2entity, chain 22

Entities:

Entity 1, entity, chain 1 22 residues - 2440.752 Da.

1   GLYILEVALGLUGLNCYSCYSTHRSERILE
2   CYSSERLEUTYRGLNLEUGLUASNTYRCYS
3   ASNGLY

Entity 2, entity, chain 2 32 residues - 3720.357 Da.

1   PHEVALASNGLNHISLEUCYSGLYSERHIS
2   LEUVALGLUALALEUTYRLEUVALCYSGLY
3   GLUARGGLYPHEPHETYRTHRPROLYSTHR
4   LYSARG

Samples:

sample_1: entity_1 2.5 mM; entity_2 2.5 mM; H20 65%; CD3CN 35%

sample_2: entity_1 2.5 mM; entity_2 2.5 mM; H20 65%; CD3CN 35%

sample_conditions_1: ionic strength: 0 M; pH: 3.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1

Software:

AMBER v9, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm - refinement, structure solution

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - refinement

SPARKY v2.6, Goddard - chemical shift assignment

VNMRJ v2.2C, Varian - collection

NMR spectrometers:

  • Varian Uniform NMR System 500 MHz

Related Database Links:

BMRB 1000 1002 1004 1006 1008 1010 1012 1014 1016 1018 1020 1022 1023 11016 1344 15464 1585 1587 16026 16027 1632 16343 16608 16663 17107 1761 17803 18858 18859 18921 18923 18924 18925 19822 19978 19979 20052 20053 25260 25261 4266 1015 1023 1025 11016 15464 1633 25260 4266 555 557 937
PDB
DBJ BAH59081 BAJ17943 BAM29044
EMBL CAA23424 CAA23475 CAA23828 CAA43403 CAA43405
GB AAA17540 AAA19033 AAA36849 AAA59172 AAA59173 AAA72171 AAA72917 AAC78289
PRF 0601246A 1006230A 550086A 560164B 580107B 0510475A 600165A 640291A
REF NP_000198 NP_001008996 NP_001075804 NP_001103242 NP_001123565
SP P01308 P01311 P01315 P01321 P30406 P01316
PIR INEL