Solution NMR structure of Outer Membrane Protein G P92A mutant from Pseudomonas aeruginosa
MHKAGDFIIR GGFATVDPDD SSSDIKLDGA KQRGTKATVD SDTQLGLTFT YMFADKWGVE LVAATPFNHQ VDVKGLGPGL DGKLADIKQL PATLLLQYYP MGGTNSAFQP YGGLGVNYTT FFDEDLASNR KAQGFSSMKL QDSWGLAGEL GFDYMLNEHA LFNMAVWYMD IDTKASINGP SALGVNKTKV DVDVDPWVYM IGFGYKFLEH HHHHH
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 37.8 % (930 of 2461) | 19.5 % (246 of 1261) | 53.3 % (519 of 973) | 72.7 % (165 of 227) |
Backbone | 66.6 % (848 of 1274) | 41.7 % (186 of 446) | 80.4 % (499 of 621) | 78.7 % (163 of 207) |
Sidechain | 17.1 % (236 of 1378) | 7.5 % (61 of 815) | 31.9 % (173 of 543) | 10.0 % (2 of 20) |
Aromatic | 0.7 % (2 of 286) | 0.0 % (0 of 143) | 1.4 % (2 of 139) | 0.0 % (0 of 4) |
Methyl | 14.5 % (32 of 220) | 10.0 % (11 of 110) | 19.1 % (21 of 110) |
1. entity
MHKAGDFIIR GGFATVDPDD SSSDIKLDGA KQRGTKATVD SDTQLGLTFT YMFADKWGVE LVAATPFNHQ VDVKGLGPGL DGKLADIKQL PATLLLQYYP MGGTNSAFQP YGGLGVNYTT FFDEDLASNR KAQGFSSMKL QDSWGLAGEL GFDYMLNEHA LFNMAVWYMD IDTKASINGP SALGVNKTKV DVDVDPWVYM IGFGYKFLEH HHHHHSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N; U-2H] | 1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | potassium chloride | natural abundance | 50 mM | |
4 | sodium azide | natural abundance | 0.05 % | |
5 | 1,2-dihexanoyl-sn-glycero-3-phosphocholine | natural abundance | 0.9 % | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | entity | [U-13C; U-15N; U-2H] | 1 mM | |
9 | sodium phosphate | natural abundance | 25 mM | |
10 | potassium chloride | natural abundance | 50 mM | |
11 | sodium azide | natural abundance | 0.05 % | |
12 | 1,2-dihexanoyl-sn-glycero-3-phosphocholine | natural abundance | 0.9 % | |
13 | D2O | natural abundance | 100 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6, Details protein was 15N-Phe labeled.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
14 | entity | natural abundance | 1 mM | |
15 | sodium phosphate | natural abundance | 25 mM | |
16 | potassium chloride | natural abundance | 50 mM | |
17 | sodium azide | natural abundance | 0.05 % | |
18 | 1,2-dihexanoyl-sn-glycero-3-phosphocholine | natural abundance | 0.9 % | |
19 | H2O | natural abundance | 90 % | |
20 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6, Details protein was 15N-Ile labeled.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
21 | entity | natural abundance | 1 mM | |
22 | sodium phosphate | natural abundance | 25 mM | |
23 | potassium chloride | natural abundance | 50 mM | |
24 | sodium azide | natural abundance | 0.05 % | |
25 | 1,2-dihexanoyl-sn-glycero-3-phosphocholine | natural abundance | 0.9 % | |
26 | H2O | natural abundance | 90 % | |
27 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6, Details protein was 15N-Asp labeled.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
28 | entity | natural abundance | 1 mM | |
29 | sodium phosphate | natural abundance | 25 mM | |
30 | potassium chloride | natural abundance | 50 mM | |
31 | sodium azide | natural abundance | 0.05 % | |
32 | 1,2-dihexanoyl-sn-glycero-3-phosphocholine | natural abundance | 0.9 % | |
33 | H2O | natural abundance | 90 % | |
34 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6, Details protein was 15N-Val labeled.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
35 | entity | natural abundance | 1 mM | |
36 | sodium phosphate | natural abundance | 25 mM | |
37 | potassium chloride | natural abundance | 50 mM | |
38 | sodium azide | natural abundance | 0.05 % | |
39 | 1,2-dihexanoyl-sn-glycero-3-phosphocholine | natural abundance | 0.9 % | |
40 | H2O | natural abundance | 90 % | |
41 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6, Details protein was 15N-Leu labeled.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
42 | entity | [U-15N]-Leu | 1 mM | |
43 | sodium phosphate | natural abundance | 25 mM | |
44 | potassium chloride | natural abundance | 50 mM | |
45 | sodium azide | natural abundance | 0.05 % | |
46 | 1,2-dihexanoyl-sn-glycero-3-phosphocholine | natural abundance | 0.9 % | |
47 | H2O | natural abundance | 90 % | |
48 | D2O | natural abundance | 10 % |