NMR solution structures of 3-hydroxyoctanoyl-ACP from Streptomyces coelicolor Fatty Acid Synthase
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | covalent | sing | 1:SER40:OG | 2:SHO1:P24 |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 87.0 % (777 of 893) | 97.4 % (442 of 454) | 71.1 % (253 of 356) | 98.8 % (82 of 83) |
Backbone | 82.4 % (397 of 482) | 98.2 % (160 of 163) | 66.3 % (159 of 240) | 98.7 % (78 of 79) |
Sidechain | 93.7 % (458 of 489) | 96.9 % (282 of 291) | 88.7 % (172 of 194) | 100.0 % (4 of 4) |
Aromatic | 43.8 % (14 of 32) | 87.5 % (14 of 16) | 0.0 % (0 of 16) | |
Methyl | 99.2 % (121 of 122) | 98.4 % (60 of 61) | 100.0 % (61 of 61) |
1. ACP
AATQEEIVAG LAEIVNEIAG IPVEDVKLDK SFTDDLDVDS LSMVEVVVAA EERFDVKIPD DDVKNLKTVG DATKYILDHQ ASolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 10 mM | |
2 | sodium azide | natural abundance | 0.5 mM | |
3 | 3-hydroxyoctanoyl phosphopantetheine | natural abundance | 1 mM | |
4 | ACP | [U-99% 13C; U-99% 15N] | 1 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | potassium phosphate | natural abundance | 10 mM | |
8 | sodium azide | natural abundance | 0.5 mM | |
9 | 3-hydroxyoctanoyl phosphopantetheine | natural abundance | 1 mM | |
10 | ACP | [U-99% 13C; U-99% 15N] | 1 mM | |
11 | H2O | natural abundance | 95 % | |
12 | D2O | natural abundance | 5 % |