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Solution structure of [B26-B29 triazole cross-linked]-insulin analogue at pH 1.9
Authors
Veverka, V., Hexnerova, R., Jiracek, J.
Assembly
[B26-B29 triazole cross-linked]-insulin analogue
Entity
1. chain A (polymer, Thiol state: all disulfide bound), 21 monomers, 2383.696 Da Detail

GIVEQCCTSI CSLYQLENYC N


2. chain B (polymer, Thiol state: all disulfide bound), 30 monomers, 3375.832 Da Detail

FVNQHLCGSH LVEALYLVCG ERGFFXTPXT


Total weight
5759.5283 Da
Max. entity weight
3375.832 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Refine. method
molecular dynamics
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 96.1 %, Completeness: 70.3 %, Completeness (bb): 66.1 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All70.3 % (392 of 558)97.5 % (277 of 284)47.3 % (104 of 220)20.4 % (11 of 54)
Backbone66.1 % (193 of 292)98.0 % (99 of 101)62.2 % (89 of 143)10.4 % (5 of 48)
Sidechain77.8 % (242 of 311)97.3 % (178 of 183)47.5 % (58 of 122)100.0 % (6 of 6)
Aromatic48.4 % (30 of 62)96.8 % (30 of 31) 0.0 % (0 of 31)
Methyl60.7 % (34 of 56)96.4 % (27 of 28)25.0 % (7 of 28)

1. chain A

GIVEQCCTSI CSLYQLENYC N

2. chain B

FVNQHLCGSH LVEALYLVCG ERGFFXTPXT

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 1.9


#NameIsotope labelingTypeConcentration
1chain_Anatural abundance1.5 mM
2chain_Bnatural abundance1.5 mM
3H2Onatural abundance90 %
4D2Onatural abundance10 %

Protein Blocks Logo
Calculated from 30 models in PDB: 2N2V, Strand ID: A, B Detail


Release date
2016-01-31
Citation
Rational steering of insulin binding specificity by intra-chain chemical crosslinking
Vikova, J., Collinsova, M., Kletvikova, E., Budesinsky, M., Kaplan, V., Zakova, L., Veverka, V., Hexnerova, R., Terazona Avino, R., Strakova, J., Selicharova, I., Venek, V., Wright, D., Watson, C., Turkenburg, J., Brzozowski, A., Jiracek, J.
Sci. Rep. (2016), 6, 19431-19431, PubMed 26792393 , DOI 10.1038/srep19431 ,
Entries sharing articles BMRB: 1 entries Detail
  BMRB: 25614 released on 2016-05-23
    Title Solution structure of [B26-B29 triazole cross-linked]-insulin analogue at pH 8.0
Related entities 1. chain A, : 112 : 13 : 7 : 90 entities Detail
Related entities 2. chain B, : 103 : 49 entities Detail
Interaction partners 1. chain A, : 2 interactors Detail
Experiments performed 2 experiments Detail
NMR combined restraints 7 contents Detail
Keywords insulin