1H,13C,15N backbone and sidechain assignment of human Raf kinase inhibitor protein from Escherichia coli
MSYYHHHHHH EGVRTMPVDL SKWSGPLSLQ EVDEQPQHPL HVTYAGAAVD ELGKVLTPTQ VKNRPTSISW DGLDSGKLYT LVLTDPDAPS RKDPKYREWH HFLVVNMKGN DISSGTVLSD YVGSGPPKGT GLHRYVWLVY EQDRPLKCDE PILSNRSGDH RGKFKVASFR KKYELRAPVA GTCYQAEWDD YVPKLYEQLS GK
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 80.5 % (1906 of 2367) | 80.6 % (995 of 1234) | 79.2 % (737 of 930) | 85.7 % (174 of 203) |
Backbone | 91.3 % (1079 of 1182) | 91.9 % (372 of 405) | 90.5 % (534 of 590) | 92.5 % (173 of 187) |
Sidechain | 72.7 % (997 of 1371) | 75.2 % (623 of 829) | 70.9 % (373 of 526) | 6.3 % (1 of 16) |
Aromatic | 6.8 % (16 of 234) | 8.5 % (10 of 117) | 5.4 % (6 of 112) | 0.0 % (0 of 5) |
Methyl | 95.8 % (184 of 192) | 96.9 % (93 of 96) | 94.8 % (91 of 96) |
1. RKIP
MSYYHHHHHH EGVRTMPVDL SKWSGPLSLQ EVDEQPQHPL HVTYAGAAVD ELGKVLTPTQ VKNRPTSISW DGLDSGKLYT LVLTDPDAPS RKDPKYREWH HFLVVNMKGN DISSGTVLSD YVGSGPPKGT GLHRYVWLVY EQDRPLKCDE PILSNRSGDH RGKFKVASFR KKYELRAPVA GTCYQAEWDD YVPKLYEQLS GKSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 4.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | acetic acid | natural abundance | 200 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % | |
4 | RKIP | [U-100% 13C; U-100% 15N] | 3 mM | |
5 | DTT | natural abundance | 5 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 4.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | acetic acid | natural abundance | 200 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % | |
4 | RKIP | [U-100% 13C; U-100% 15N] | 3 mM | |
5 | DTT | natural abundance | 5 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 4.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | acetic acid | natural abundance | 200 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % | |
4 | RKIP | [U-100% 13C; U-100% 15N] | 3 mM | |
5 | DTT | natural abundance | 5 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 4.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | acetic acid | natural abundance | 200 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % | |
4 | RKIP | [U-100% 13C; U-100% 15N] | 3 mM | |
5 | DTT | natural abundance | 5 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 4.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | acetic acid | natural abundance | 200 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % | |
4 | RKIP | [U-100% 13C; U-100% 15N] | 3 mM | |
5 | DTT | natural abundance | 5 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 4.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | acetic acid | natural abundance | 200 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % | |
4 | RKIP | [U-100% 13C; U-100% 15N] | 3 mM | |
5 | DTT | natural abundance | 5 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 4.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | acetic acid | natural abundance | 200 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % | |
4 | RKIP | [U-100% 13C; U-100% 15N] | 3 mM | |
5 | DTT | natural abundance | 5 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 4.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | acetic acid | natural abundance | 200 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % | |
4 | RKIP | [U-100% 13C; U-100% 15N] | 3 mM | |
5 | DTT | natural abundance | 5 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 4.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | acetic acid | natural abundance | 200 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % | |
4 | RKIP | [U-100% 13C; U-100% 15N] | 3 mM | |
5 | DTT | natural abundance | 5 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 4.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | acetic acid | natural abundance | 200 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % | |
4 | RKIP | [U-100% 13C; U-100% 15N] | 3 mM | |
5 | DTT | natural abundance | 5 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 4.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | acetic acid | natural abundance | 200 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % | |
4 | RKIP | [U-100% 13C; U-100% 15N] | 3 mM | |
5 | DTT | natural abundance | 5 mM |
Properties
Disulfide bonds
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneContent subtype: bmr16992_3.str
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MSYYHHHHHHEGVRTMPVDLSKWSGPLSLQEVDEQPQHPLHVTYAGAAVDELGKVLTPTQVKNRPTSISWDGLDSGKLYTLVLTDPDAPSRKDPKYREWH ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ...............MPVDLSKWSGPLSLQEVDEQPQHPLHVTYAGAAVDELGKVLTPTQVKNRPTSISWDGLDSGKLYTLVLTDPDAPSRKDPKYREWH -------110-------120-------130-------140-------150-------160-------170-------180-------190-------200 HFLVVNMKGNDISSGTVLSDYVGSGPPKGTGLHRYVWLVYEQDRPLKCDEPILSNRSGDHRGKFKVASFRKKYELRAPVAGTCYQAEWDDYVPKLYEQLS ||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| HFLVVNMKGNDISSGTVLSDYVGSG.PKGTGLHRYVWLVYEQDRPLKCDEPILSNRSGDHRGKFKVASFRKKYELRAPVAGTCYQAEWDDYVPKLYEQLS -- GK || GK
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
172 | LYS | HZ1 | 6.76 |
172 | LYS | HZ2 | 6.76 |
172 | LYS | HZ3 | 6.76 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 1234 | 978 | 79.3 |
13C chemical shifts | 930 | 720 | 77.4 |
15N chemical shifts | 213 | 172 | 80.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 405 | 370 | 91.4 |
13C chemical shifts | 404 | 355 | 87.9 |
15N chemical shifts | 187 | 172 | 92.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 829 | 608 | 73.3 |
13C chemical shifts | 526 | 365 | 69.4 |
15N chemical shifts | 26 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 99 | 91 | 91.9 |
13C chemical shifts | 99 | 91 | 91.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 117 | 0 | 0.0 |
13C chemical shifts | 112 | 0 | 0.0 |
15N chemical shifts | 5 | 0 | 0.0 |