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BMRB: 34363

Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring B, major conformer
Authors
Dickman, R., Mitchell, S.A., Figueiredo, A., Hansen, D.F., Tabor, A.B.
Assembly
DCY-LEU-GLY-ALA-THR
Entity
1. DCY-LEU-GLY-ALA-THR (polymer), 5 monomers, 463.5489 Da Detail

XLGAT


Formula weight
463.5489 Da
Source organism
Lactococcus lactis
Exptl. method
solution NMR
Refine. method
simulated annealing
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 80.0 %, Completeness: 59.4 %, Completeness (bb): 95.0 % Detail
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Polymer type: polypeptide(L)

Total1H13C
All59.4 % (19 of 32)52.9 % (9 of 17)66.7 % (10 of 15)
Backbone95.0 % (19 of 20)100.0 % (9 of 9)90.9 % (10 of 11)
Sidechain20.0 % (3 of 15) 0.0 % (0 of 8)42.9 % (3 of 7)
Methyl12.5 % (1 of 8) 0.0 % (0 of 4)25.0 % (1 of 4)

1. entity 1

XLGAT

Show sample condition
Sample

Solvent system DMSO, Pressure 1 atm, Temperature 298 K, pH 5.0, Details 13.0 mg/mL Mutacin I ring B, DMSO; TFA salt.


#NameIsotope labelingTypeConcentration
1Mutacin I ring Bnatural abundance13.0 mg/mL

Protein Blocks Logo
Calculated from 15 models in PDB: 6QTF, Strand ID: A Detail

Release date
2019-09-26
Citation 1
A chemical biology approach to understanding molecular recognition of lipid II by nisin: Solid-phase synthesis and NMR ensemble analysis of nisin(1-12) and a synthetic analogue
Dickman, R., Danelius, E., Mitchell, S.A., Hansen, D.F., Erdelyi, M., Tabor, A.B.
Show more 1 citaion
Citation 2
Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B
Dickman, R., Mitchell, S.A., Figueiredo, A.M., Hansen, D.F., Tabor, A.B.
J. Org. Chem. (2019), 84, 11493-11512, PubMed 31464129 , DOI 10.1021/acs.joc.9b01253 ,
Entries sharing articles BMRB: 7 entries Detail
  BMRB: 34360 released on 2019-09-26
    Title Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Nisin Ring B (Lan8,11) analogue
  BMRB: 34369 released on 2019-09-26
    Title Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring B, minor conformer
  BMRB: 34370 released on 2019-09-26
    Title Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Nisin Ring B
  BMRB: 34371 released on 2019-09-26
    Title Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring A truncated analogue
  BMRB: 34372 released on 2019-09-26
    Title Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring A
  BMRB: 34373 released on 2019-09-26
    Title Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring A (Ser2, Ala5, Ala8) analogue
  BMRB: 34374 released on 2019-09-26
    Title Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - nisin ring A
Experiments performed 4 experiments Detail
Chemical shift validation 3 contents Detail
Keywords ANTIBIOTIC, ANTIMICROBIAL, BACTERIOCIN, LANTIBIOTIC, PEPTIDE ANTIBIOTIC, THIOESTER