TNPX
GSRTSRITAL YERLSRDDDL TGESNSITNQ KKYLEDYARR NGFENIRHFT DDGFSGVNFN RPGFQSLIKE VEAGNVETLI VKDMSRLGRN YLQVGFYTEV LFPQKNVRFL AINNSIDSNN
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 93.1 % (1316 of 1414) | 93.5 % (691 of 739) | 92.0 % (497 of 540) | 94.8 % (128 of 135) |
Backbone | 97.6 % (699 of 716) | 97.2 % (240 of 247) | 97.4 % (342 of 351) | 99.2 % (117 of 118) |
Sidechain | 89.9 % (727 of 809) | 91.7 % (451 of 492) | 88.3 % (265 of 300) | 64.7 % (11 of 17) |
Aromatic | 66.1 % (82 of 124) | 85.5 % (53 of 62) | 46.8 % (29 of 62) | |
Methyl | 96.6 % (114 of 118) | 94.9 % (56 of 59) | 98.3 % (58 of 59) |
1. TNPX
GSRTSRITAL YERLSRDDDL TGESNSITNQ KKYLEDYARR NGFENIRHFT DDGFSGVNFN RPGFQSLIKE VEAGNVETLI VKDMSRLGRN YLQVGFYTEV LFPQKNVRFL AINNSIDSNNSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4MM [U-98% 13C
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TNPX | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | D2O | natural abundance | 10 % | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 20 mM | |
5 | H2O | natural abundance | 90 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4MM [U-98% 13C
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TNPX | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | D2O | natural abundance | 10 % | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 20 mM | |
5 | H2O | natural abundance | 90 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4MM [U-98% 13C
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TNPX | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | D2O | natural abundance | 10 % | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 20 mM | |
5 | H2O | natural abundance | 90 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4MM [U-98% 13C
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TNPX | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | D2O | natural abundance | 10 % | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 20 mM | |
5 | H2O | natural abundance | 90 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4MM [U-98% 13C
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TNPX | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | D2O | natural abundance | 10 % | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 20 mM | |
5 | H2O | natural abundance | 90 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4MM [U-98% 13C
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TNPX | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | D2O | natural abundance | 10 % | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 20 mM | |
5 | H2O | natural abundance | 90 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4MM [U-98% 13C
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TNPX | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | D2O | natural abundance | 10 % | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 20 mM | |
5 | H2O | natural abundance | 90 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4MM [U-98% 13C
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TNPX | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | D2O | natural abundance | 10 % | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 20 mM | |
5 | H2O | natural abundance | 90 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4MM [U-98% 13C
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TNPX | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | D2O | natural abundance | 10 % | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 20 mM | |
5 | H2O | natural abundance | 90 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4MM [U-98% 13C
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TNPX | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | D2O | natural abundance | 10 % | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 20 mM | |
5 | H2O | natural abundance | 90 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4MM [U-98% 13C
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TNPX | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | D2O | natural abundance | 10 % | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 20 mM | |
5 | H2O | natural abundance | 90 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4MM [U-98% 13C
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TNPX | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | D2O | natural abundance | 10 % | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 20 mM | |
5 | H2O | natural abundance | 90 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4MM [U-98% 13C
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TNPX | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | D2O | natural abundance | 10 % | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 20 mM | |
5 | H2O | natural abundance | 90 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4MM [U-98% 13C
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TNPX | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | D2O | natural abundance | 10 % | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 20 mM | |
5 | H2O | natural abundance | 90 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.4MM [U-98% 13C
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TNPX | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | D2O | natural abundance | 10 % | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium phosphate | natural abundance | 20 mM | |
5 | H2O | natural abundance | 90 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_19625_2mhc.nef |
Input source #2: Coordindates | 2mhc.cif |
Diamagnetism of the molecular assembly | True (excluding Oxygen atoms) |
Whether the assembly has a disulfide bond | None |
Whether the assembly has a other bond | None |
Whether the assembly contains a cyclic polymer | None |
Overall data processing status | Warning |
Disulfide bonds
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneSequence alignments
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GSRTSRITALYERLSRDDDLTGESNSITNQKKYLEDYARRNGFENIRHFTDDGFSGVNFNRPGFQSLIKEVEAGNVETLIVKDMSRLGRNYLQVGFYTEV |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSRTSRITALYERLSRDDDLTGESNSITNQKKYLEDYARRNGFENIRHFTDDGFSGVNFNRPGFQSLIKEVEAGNVETLIVKDMSRLGRNYLQVGFYTEV -------110-------120 LFPQKNVRFLAINNSIDSNN |||||||||||||||||||| LFPQKNVRFLAINNSIDSNN
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 120 | 0 | 0 | 100.0 |
Content subtype: combined_19625_2mhc.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GSRTSRITALYERLSRDDDLTGESNSITNQKKYLEDYARRNGFENIRHFTDDGFSGVNFNRPGFQSLIKEVEAGNVETLIVKDMSRLGRNYLQVGFYTEV ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .SRTSRITALYERLSRDDDLTGESNSITNQKKYLEDYARRNGFENIRHFTDDGFSGVNFNRPGFQSLIKEVEAGNVETLIVKDMSRLGRNYLQVGFYTEV -------110-------120 LFPQKNVRFLAINNSIDSNN |||||||||||||||||||| LFPQKNVRFLAINNSIDSNN
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
13 | ARG | HH12 | 7.09 |
13 | ARG | HH11 | 6.62 |
13 | ARG | NH1 | 86.91 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 739 | 702 | 95.0 |
13C chemical shifts | 540 | 494 | 91.5 |
15N chemical shifts | 146 | 129 | 88.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 247 | 243 | 98.4 |
13C chemical shifts | 240 | 231 | 96.3 |
15N chemical shifts | 118 | 116 | 98.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 492 | 459 | 93.3 |
13C chemical shifts | 300 | 263 | 87.7 |
15N chemical shifts | 28 | 13 | 46.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 60 | 60 | 100.0 |
13C chemical shifts | 60 | 60 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 62 | 53 | 85.5 |
13C chemical shifts | 62 | 25 | 40.3 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GSRTSRITALYERLSRDDDLTGESNSITNQKKYLEDYARRNGFENIRHFTDDGFSGVNFNRPGFQSLIKEVEAGNVETLIVKDMSRLGRNYLQVGFYTEV ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .SRTSRITALYERLSRDDDLTGESNSITNQKKYLEDYARRNGFENIRHFTDDGFSGVNFNRPGFQSLIKEVEAGNVETLIVKDMSRLGRNYLQVGFYTEV -------110-------120 LFPQKNVRFLAINNSIDSNN |||||||||||||||||||| LFPQKNVRFLAINNSIDSNN