BMRB Entry 19978

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19978
MolProbity Validation Chart

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Title:
Solution structure of the [AibB8,LysB28,ProB29]-insulin analogue
Deposition date:
2014-05-17
Original release date:
2014-06-09
Authors:
Kosinova, Lucie; Jiracek, Jiri; Zakova, Lenka; Veverka, Vaclav
Citation:

Citation: Kosinova, Lucie; Veverka, Vaclav; Novotna, Pavlina; Collinsova, Michaela; Urbanova, Marie; Moody, Nicholas; Turkenburg, Johan; Jiraek, Jii; Brzozowski, Andrzej; Zakova, Lenka. "Insight into the structural and biological relevance of the t/r transition of the N-terminus of the B-chain in human insulin."  Biochemistry 53, 3392-3402 (2014).
PubMed: 24819248

Assembly members:

Assembly members:
entity_1, polymer, 21 residues, 2383.700 Da.
entity_2, polymer, 30 residues, 3462.034 Da.

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:

Experimental source:   Production method: chemical synthesis   Vector: na

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GIVEQCCTSICSLYQLENYC N
entity_2: FVNQHLCXSHLVEALYLVCG ERGFFYTKPT

Data sets:
Data typeCount
1H chemical shifts348

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_22

Entities:

Entity 1, entity_1 21 residues - 2383.700 Da.

1   GLYILEVALGLUGLNCYSCYSTHRSERILE
2   CYSSERLEUTYRGLNLEUGLUASNTYRCYS
3   ASN

Entity 2, entity_2 30 residues - 3462.034 Da.

1   PHEVALASNGLNHISLEUCYSAIBSERHIS
2   LEUVALGLUALALEUTYRLEUVALCYSGLY
3   GLUARGGLYPHEPHETYRTHRLYSPROTHR

Samples:

sample_1: entity_1 0.3 mM; acetic acid, [U-2H], 20%; H2O 95%; D2O 5%; entity_2 mM

sample_conditions_1: temperature: 298 K; pH: 1.9; pressure: 1 atm

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

SPARKY, Goddard - chemical shift assignment, data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

YASARA, YASARA - refinement

NMR spectrometers:

  • Bruker Avance 600 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 16915 17107 1761 17803 18858 18859 18921 18923 18924 18925 19822 19979 20052 20053 25260 25261 4266
PDB
DBJ BAH59081 BAJ17943 BAM29044
EMBL CAA23424 CAA23475 CAA23828 CAA43403 CAA43405
GB AAA17540 AAA19033 AAA36849 AAA59172 AAA59173
PRF 0601246A 1006230A 550086A 560164B 580107B
REF NP_000198 NP_001008996 NP_001075804 NP_001103242 NP_001123565
SP P01308 P01311 P01315 P01321 P30406
AlphaFold P01308 P01311 P01315 P01321 P30406