Backbone assignment of unlinked NS2B-NS3 Protease of Zika Virus in complex with acetyl-lysine-arginine aldehyde
GSGALWDVPA PKEVKKGETT DGVYRVMTRK LLGSTQVGVG VMQEGVFHTM WHVTKGAALR SGEGRLDPYW GDVKQDLVSY CGPWKLDAAW DGLSEVQLLA VPPGERAKNI QTLPGIFKTK DGDIGAVALD YPAGTSGSPI LDKCGRVIGL YGNGVVIKNG SYVSAITQGK REEETPVE
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | covalent | sing | 2:SER136:SG | 3:7HS1:CAO |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 15.9 % (440 of 2769) | 10.8 % (155 of 1431) | 19.6 % (213 of 1085) | 28.5 % (72 of 253) |
Backbone | 24.9 % (368 of 1478) | 18.8 % (98 of 522) | 27.5 % (198 of 719) | 30.4 % (72 of 237) |
Sidechain | 8.8 % (132 of 1508) | 6.3 % (57 of 909) | 12.9 % (75 of 583) | 0.0 % (0 of 16) |
Aromatic | 0.0 % (0 of 194) | 0.0 % (0 of 97) | 0.0 % (0 of 91) | 0.0 % (0 of 6) |
Methyl | 14.1 % (37 of 262) | 16.0 % (21 of 131) | 12.2 % (16 of 131) |
1. NS2B fragment
MGSSHHHHHH SSGLVPRGSH MTGKSVDMYI ERAGDITWEK DAEVTGNSPR LDVALDESGD FSLVEEDGPP MRE2. NS3 fragment
GSGALWDVPA PKEVKKGETT DGVYRVMTRK LLGSTQVGVG VMQEGVFHTM WHVTKGAALR SGEGRLDPYW GDVKQDLVSY CGPWKLDAAW DGLSEVQLLA VPPGERAKNI QTLPGIFKTK DGDIGAVALD YPAGTSGSPI LDKCGRVIGL YGNGVVIKNG SYVSAITQGK REEETPVESolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.3, Details 20 mM HEPES, pH7.3, 150 mM NaCl, 1 mM DTT.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NS2B_fragment | [U-13C; U-15N; U-2H] | 0.8 mM | |
2 | NS3_fragment | [U-13C; U-15N; U-2H] | 0.8 mM | |
3 | HEPES | natural abundance | 20 mM | |
4 | sodium chloride | natural abundance | 150 mM | |
5 | DTT | natural abundance | 1 mM |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 24.5 % (1359 of 5538) | 14.6 % (417 of 2862) | 32.9 % (714 of 2170) | 45.1 % (228 of 506) |
Backbone | 40.0 % (1182 of 2956) | 26.8 % (280 of 1044) | 46.9 % (674 of 1438) | 48.1 % (228 of 474) |
Sidechain | 12.7 % (384 of 3016) | 7.5 % (137 of 1818) | 21.2 % (247 of 1166) | 0.0 % (0 of 32) |
Aromatic | 1.5 % (6 of 388) | 1.5 % (3 of 194) | 1.6 % (3 of 182) | 0.0 % (0 of 12) |
Methyl | 14.1 % (74 of 524) | 13.7 % (36 of 262) | 14.5 % (38 of 262) |
1. NS2B fragment
MGSSHHHHHH SSGLVPRGSH MTGKSVDMYI ERAGDITWEK DAEVTGNSPR LDVALDESGD FSLVEEDGPP MRE2. NS3 fragment
GSGALWDVPA PKEVKKGETT DGVYRVMTRK LLGSTQVGVG VMQEGVFHTM WHVTKGAALR SGEGRLDPYW GDVKQDLVSY CGPWKLDAAW DGLSEVQLLA VPPGERAKNI QTLPGIFKTK DGDIGAVALD YPAGTSGSPI LDKCGRVIGL YGNGVVIKNG SYVSAITQGK REEETPVESolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.3, Details 20 mM HEPES, pH7.3, 150 mM NaCl, 1 mM DTT.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NS2B_fragment | [U-13C; U-15N; U-2H] | 0.8 mM | |
2 | NS3_fragment | [U-13C; U-15N; U-2H] | 0.8 mM | |
3 | HEPES | natural abundance | 20 mM | |
4 | sodium chloride | natural abundance | 150 mM | |
5 | DTT | natural abundance | 1 mM |