BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 15464

Title: NMR STRUCTURE OF HUMAN INSULIN MONOMER IN 35% CD3CN ZINC FREE, 50 STRUCTURES   PubMed: 18040865

Authors: Bocian, Wojciech; Kozerski, Lech

Citation: Bocian, Wojciech; Sitkowski, Jerzy; Bednarek, Elzbieta; Tarnowska, Anna; Kawecki, Robert; Kozerski, Lech. "Structure of human insulin monomer in water/acetonitrile solution"  J. Biomol. NMR 40, 55-64 (2008).

Assembly members:
chain A, polymer, 21 residues, 2383.700 Da.
chain B, polymer, 30 residues, 3434.989 Da.

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

Experimental source:   Production method: obtained from a vendor

Entity Sequences (FASTA):
chain A: GIVEQCCTSICSLYQLENYC N
chain B: FVNQHLCGSHLVEALYLVCG ERGFFYTPKT

Data sets:
Data typeCount
1H chemical shifts339

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1chain A1
2chain B2

Entities:

Entity 1, chain A 21 residues - 2383.700 Da.

1   GLYILEVALGLUGLNCYSCYSTHRSERILE
2   CYSSERLEUTYRGLNLEUGLUASNTYRCYS
3   ASN

Entity 2, chain B 30 residues - 3434.989 Da.

1   PHEVALASNGLNHISLEUCYSGLYSERHIS
2   LEUVALGLUALALEUTYRLEUVALCYSGLY
3   GLUARGGLYPHEPHETYRTHRPROLYSTHR

Samples:

sample_1: entity_1 2.0 mM; entity_2 2.0 mM; CD3CN 35%; H2O 65%

sample_conditions_1: pH: 3.6; pressure: 1 atm; temperature: 303 K

Experiments:

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

Software:

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

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 1585 1587 16026 16027 1632 16343 16608 16663 16915 17107 1761 17803 18858 18859 18921 18923 18924 18925 19822 19978 19979 20052 20053 25260 25261 4266 1015 1023 1025 11016 1633 16915 17803 25260 4266 555 557 937
PDB
DBJ BAH59081 BAJ17943 BAM29044 BAH59081 BAJ17943
EMBL CAA23424 CAA23475 CAA23828 CAA43403 CAA43405 CAA08766 CAA23424 CAA23828 CAA43403 CAA43405
GB AAA17540 AAA19033 AAA36849 AAA59172 AAA59173 AAA36849 AAA59172 AAA59173 AAA59179 AAA72171
PRF 0601246A 1006230A 550086A 560164B 580107B 0510475A 0601246A 1006230A 600165A 640291A
REF NP_000198 NP_001008996 NP_001075804 NP_001103242 NP_001123565 NP_000198 NP_001008996 NP_001035835 NP_001172026 NP_001172027
SP P01308 P01311 P01315 P01321 P30406 F8WCM5 P01308 P01316 P30406 P30407
PIR INEL