NMR Solution Structures of 3-oxo-butyl-ACP, an intermediate mimic from the actinorhodin polyketide synthase in Streptomyces coelicolor
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 97.4 % (887 of 911) | 96.8 % (447 of 462) | 97.8 % (356 of 364) | 98.8 % (84 of 85) |
Backbone | 98.0 % (502 of 512) | 97.7 % (173 of 177) | 98.0 % (246 of 251) | 98.8 % (83 of 84) |
Sidechain | 96.9 % (463 of 478) | 96.1 % (274 of 285) | 97.9 % (188 of 192) | 100.0 % (1 of 1) |
Aromatic | 100.0 % (36 of 36) | 100.0 % (18 of 18) | 100.0 % (18 of 18) | |
Methyl | 98.3 % (118 of 120) | 96.7 % (58 of 60) | 100.0 % (60 of 60) |
1. 3-oxo-butyl-ACP
MATLLTTDDL RRALVESAGE TDGTDLSGDF LDLRFEDIGY DSLALMETAA RLESRYGVSI PDDVAGRVDT PRELLDLING ALAEAASolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 5.5 (±0.2), Details Samples were 1mM NaN3, 5%/95% D2O/H2O in 600μL potassium phosphate buffer (20mM, pH 5.5) and 1-2mM derivatised ACP. The 3-oxo-butyl group and 4'PP chain were not isotopically labelled.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ACP | natural abundance | 1.0 ~ 2.0 (±0.2) mM | |
2 | potassium phosphate | natural abundance | 20 (±2.0) mM | |
3 | sodium azide | natural abundance | 1 (±0.1) mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |