Solution structure of apo-Phl p 7
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 92.2 % (796 of 863) | 94.6 % (421 of 445) | 87.8 % (296 of 337) | 97.5 % (79 of 81) |
Backbone | 97.6 % (449 of 460) | 96.2 % (153 of 159) | 98.7 % (222 of 225) | 97.4 % (74 of 76) |
Sidechain | 88.0 % (417 of 474) | 93.7 % (268 of 286) | 78.7 % (144 of 183) | 100.0 % (5 of 5) |
Aromatic | 40.0 % (28 of 70) | 80.0 % (28 of 35) | 0.0 % (0 of 35) | |
Methyl | 97.3 % (72 of 74) | 97.3 % (36 of 37) | 97.3 % (36 of 37) |
1. Phl p 7
ADDMERIFKR FDTNGDGKIS LSELTDALRT LGSTSADEVQ RMMAEIDTDG DGFIDFNEFI SFCNANPGLM KDVAKVFSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 6.0 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Phl p 7 | [U-98% 13C; U-98% 15N] | 3 (±0.3) mM | |
2 | sodium chloride | natural abundance | 150 (±1.5) mM | |
3 | MES | natural abundance | 10 (±0.1) mM | |
4 | D2O | [U-99% 2H] | 10 (±1.0) % | |
5 | H2O | natural abundance | 90 (±1.0) % | |
6 | sodium azide | natural abundance | 0.1 (±0.01) % | |
7 | EDTA | natural abundance | 5 (±0.1) mM |
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 293 (±0.5) K, pH 6.0 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Phl p 7 | [U-98% 13C; U-98% 15N] | 3 (±0.3) mM | |
2 | sodium chloride | natural abundance | 150 (±1.5) mM | |
3 | MES | natural abundance | 10 (±0.1) mM | |
4 | D2O | [U-99% 2H] | 10 (±1.0) % | |
5 | H2O | natural abundance | 90 (±1.0) % | |
6 | sodium azide | natural abundance | 0.1 (±0.01) % | |
7 | EDTA | natural abundance | 5 (±0.1) mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 6.0 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Phl p 7 | [U-98% 13C; U-98% 15N] | 3 (±0.3) mM | |
2 | sodium chloride | natural abundance | 150 (±1.5) mM | |
3 | MES | natural abundance | 10 (±0.1) mM | |
4 | D2O | [U-99% 2H] | 10 (±1.0) % | |
5 | H2O | natural abundance | 90 (±1.0) % | |
6 | sodium azide | natural abundance | 0.1 (±0.01) % | |
7 | EDTA | natural abundance | 5 (±0.1) mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 6.0 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Phl p 7 | [U-98% 13C; U-98% 15N] | 3 (±0.3) mM | |
2 | sodium chloride | natural abundance | 150 (±1.5) mM | |
3 | MES | natural abundance | 10 (±0.1) mM | |
4 | D2O | [U-99% 2H] | 10 (±1.0) % | |
5 | H2O | natural abundance | 90 (±1.0) % | |
6 | sodium azide | natural abundance | 0.1 (±0.01) % | |
7 | EDTA | natural abundance | 5 (±0.1) mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 6.0 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Phl p 7 | [U-98% 13C; U-98% 15N] | 3 (±0.3) mM | |
2 | sodium chloride | natural abundance | 150 (±1.5) mM | |
3 | MES | natural abundance | 10 (±0.1) mM | |
4 | D2O | [U-99% 2H] | 10 (±1.0) % | |
5 | H2O | natural abundance | 90 (±1.0) % | |
6 | sodium azide | natural abundance | 0.1 (±0.01) % | |
7 | EDTA | natural abundance | 5 (±0.1) mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 6.0 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Phl p 7 | [U-98% 13C; U-98% 15N] | 3 (±0.3) mM | |
2 | sodium chloride | natural abundance | 150 (±1.5) mM | |
3 | MES | natural abundance | 10 (±0.1) mM | |
4 | D2O | [U-99% 2H] | 10 (±1.0) % | |
5 | H2O | natural abundance | 90 (±1.0) % | |
6 | sodium azide | natural abundance | 0.1 (±0.01) % | |
7 | EDTA | natural abundance | 5 (±0.1) mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 6.0 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Phl p 7 | [U-98% 13C; U-98% 15N] | 3 (±0.3) mM | |
2 | sodium chloride | natural abundance | 150 (±1.5) mM | |
3 | MES | natural abundance | 10 (±0.1) mM | |
4 | D2O | [U-99% 2H] | 10 (±1.0) % | |
5 | H2O | natural abundance | 90 (±1.0) % | |
6 | sodium azide | natural abundance | 0.1 (±0.01) % | |
7 | EDTA | natural abundance | 5 (±0.1) mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 6.0 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Phl p 7 | [U-98% 13C; U-98% 15N] | 3 (±0.3) mM | |
2 | sodium chloride | natural abundance | 150 (±1.5) mM | |
3 | MES | natural abundance | 10 (±0.1) mM | |
4 | D2O | [U-99% 2H] | 10 (±1.0) % | |
5 | H2O | natural abundance | 90 (±1.0) % | |
6 | sodium azide | natural abundance | 0.1 (±0.01) % | |
7 | EDTA | natural abundance | 5 (±0.1) mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 6.0 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Phl p 7 | [U-98% 13C; U-98% 15N] | 3 (±0.3) mM | |
2 | sodium chloride | natural abundance | 150 (±1.5) mM | |
3 | MES | natural abundance | 10 (±0.1) mM | |
4 | D2O | [U-99% 2H] | 10 (±1.0) % | |
5 | H2O | natural abundance | 90 (±1.0) % | |
6 | sodium azide | natural abundance | 0.1 (±0.01) % | |
7 | EDTA | natural abundance | 5 (±0.1) mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 6.0 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Phl p 7 | [U-98% 13C; U-98% 15N] | 3 (±0.3) mM | |
2 | sodium chloride | natural abundance | 150 (±1.5) mM | |
3 | MES | natural abundance | 10 (±0.1) mM | |
4 | D2O | [U-99% 2H] | 10 (±1.0) % | |
5 | H2O | natural abundance | 90 (±1.0) % | |
6 | sodium azide | natural abundance | 0.1 (±0.01) % | |
7 | EDTA | natural abundance | 5 (±0.1) mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 6.0 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Phl p 7 | [U-98% 13C; U-98% 15N] | 3 (±0.3) mM | |
2 | sodium chloride | natural abundance | 150 (±1.5) mM | |
3 | MES | natural abundance | 10 (±0.1) mM | |
4 | D2O | [U-99% 2H] | 10 (±1.0) % | |
5 | H2O | natural abundance | 90 (±1.0) % | |
6 | sodium azide | natural abundance | 0.1 (±0.01) % | |
7 | EDTA | natural abundance | 5 (±0.1) mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 6.0 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Phl p 7 | [U-98% 13C; U-98% 15N] | 3 (±0.3) mM | |
2 | sodium chloride | natural abundance | 150 (±1.5) mM | |
3 | MES | natural abundance | 10 (±0.1) mM | |
4 | D2O | [U-99% 2H] | 10 (±1.0) % | |
5 | H2O | natural abundance | 90 (±1.0) % | |
6 | sodium azide | natural abundance | 0.1 (±0.01) % | |
7 | EDTA | natural abundance | 5 (±0.1) mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 6.0 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Phl p 7 | [U-98% 13C; U-98% 15N] | 3 (±0.3) mM | |
2 | sodium chloride | natural abundance | 150 (±1.5) mM | |
3 | MES | natural abundance | 10 (±0.1) mM | |
4 | D2O | [U-99% 2H] | 10 (±1.0) % | |
5 | H2O | natural abundance | 90 (±1.0) % | |
6 | sodium azide | natural abundance | 0.1 (±0.01) % | |
7 | EDTA | natural abundance | 5 (±0.1) mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 6.0 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Phl p 7 | [U-98% 13C; U-98% 15N] | 3 (±0.3) mM | |
2 | sodium chloride | natural abundance | 150 (±1.5) mM | |
3 | MES | natural abundance | 10 (±0.1) mM | |
4 | D2O | [U-99% 2H] | 10 (±1.0) % | |
5 | H2O | natural abundance | 90 (±1.0) % | |
6 | sodium azide | natural abundance | 0.1 (±0.01) % | |
7 | EDTA | natural abundance | 5 (±0.1) mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 6.0 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Phl p 7 | [U-98% 13C; U-98% 15N] | 3 (±0.3) mM | |
2 | sodium chloride | natural abundance | 150 (±1.5) mM | |
3 | MES | natural abundance | 10 (±0.1) mM | |
4 | D2O | [U-99% 2H] | 10 (±1.0) % | |
5 | H2O | natural abundance | 90 (±1.0) % | |
6 | sodium azide | natural abundance | 0.1 (±0.01) % | |
7 | EDTA | natural abundance | 5 (±0.1) mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 6.0 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Phl p 7 | [U-98% 13C; U-98% 15N] | 3 (±0.3) mM | |
2 | sodium chloride | natural abundance | 150 (±1.5) mM | |
3 | MES | natural abundance | 10 (±0.1) mM | |
4 | D2O | [U-99% 2H] | 10 (±1.0) % | |
5 | H2O | natural abundance | 90 (±1.0) % | |
6 | sodium azide | natural abundance | 0.1 (±0.01) % | |
7 | EDTA | natural abundance | 5 (±0.1) mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 6.0 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Phl p 7 | [U-98% 13C; U-98% 15N] | 3 (±0.3) mM | |
2 | sodium chloride | natural abundance | 150 (±1.5) mM | |
3 | MES | natural abundance | 10 (±0.1) mM | |
4 | D2O | [U-99% 2H] | 10 (±1.0) % | |
5 | H2O | natural abundance | 90 (±1.0) % | |
6 | sodium azide | natural abundance | 0.1 (±0.01) % | |
7 | EDTA | natural abundance | 5 (±0.1) mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 6.0 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Phl p 7 | [U-98% 13C; U-98% 15N] | 3 (±0.3) mM | |
2 | sodium chloride | natural abundance | 150 (±1.5) mM | |
3 | MES | natural abundance | 10 (±0.1) mM | |
4 | D2O | [U-99% 2H] | 10 (±1.0) % | |
5 | H2O | natural abundance | 90 (±1.0) % | |
6 | sodium azide | natural abundance | 0.1 (±0.01) % | |
7 | EDTA | natural abundance | 5 (±0.1) mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_18571_2lvi.nef |
Input source #2: Coordindates | 2lvi.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------- ADDMERIFKRFDTNGDGKISLSELTDALRTLGSTSADEVQRMMAEIDTDGDGFIDFNEFISFCNANPGLMKDVAKVF ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ADDMERIFKRFDTNGDGKISLSELTDALRTLGSTSADEVQRMMAEIDTDGDGFIDFNEFISFCNANPGLMKDVAKVF
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 77 | 0 | 0 | 100.0 |
Content subtype: combined_18571_2lvi.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70------- ADDMERIFKRFDTNGDGKISLSELTDALRTLGSTSADEVQRMMAEIDTDGDGFIDFNEFISFCNANPGLMKDVAKVF |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .DDMERIFKRFDTNGDGKISLSELTDALRTLGSTSADEVQRMMAEIDTDGDGFIDFNEFISFCNANPGLMKDVAKVF
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 445 | 424 | 95.3 |
13C chemical shifts | 337 | 296 | 87.8 |
15N chemical shifts | 85 | 79 | 92.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 159 | 155 | 97.5 |
13C chemical shifts | 154 | 152 | 98.7 |
15N chemical shifts | 76 | 74 | 97.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 286 | 269 | 94.1 |
13C chemical shifts | 183 | 144 | 78.7 |
15N chemical shifts | 9 | 5 | 55.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 41 | 37 | 90.2 |
13C chemical shifts | 41 | 37 | 90.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 35 | 28 | 80.0 |
13C chemical shifts | 35 | 0 | 0.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70------- ADDMERIFKRFDTNGDGKISLSELTDALRTLGSTSADEVQRMMAEIDTDGDGFIDFNEFISFCNANPGLMKDVAKVF |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .DDMERIFKRFDTNGDGKISLSELTDALRTLGSTSADEVQRMMAEIDTDGDGFIDFNEFISFCNANPGLMKDVAKVF