The solution structure of RRM
MGHHHHHHMD TIILRNIAPH TVVDSIMTAL SPYASLAVNN IRLIKDKQTQ QNRGFAFVQL SSAMDASQLL QILQSLHPPL KIDGKTIGVD FAKSA
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 88.1 % (972 of 1103) | 90.0 % (512 of 569) | 84.7 % (366 of 432) | 92.2 % (94 of 102) |
Backbone | 90.4 % (508 of 562) | 91.1 % (173 of 190) | 89.7 % (252 of 281) | 91.2 % (83 of 91) |
Sidechain | 86.7 % (548 of 632) | 89.4 % (339 of 379) | 81.8 % (198 of 242) | 100.0 % (11 of 11) |
Aromatic | 20.0 % (14 of 70) | 40.0 % (14 of 35) | 0.0 % (0 of 35) | |
Methyl | 100.0 % (124 of 124) | 100.0 % (62 of 62) | 100.0 % (62 of 62) |
1. entity
MGHHHHHHMD TIILRNIAPH TVVDSIMTAL SPYASLAVNN IRLIKDKQTQ QNRGFAFVQL SSAMDASQLL QILQSLHPPL KIDGKTIGVD FAKSASolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RRM | natural abundance | 1.2 ~ 1.4 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | EDTA | natural abundance | 2 mM | |
5 | sodium azide | natural abundance | 1 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | sodium phosphate | natural abundance | 40 mM | |
9 | sodium chloride | natural abundance | 50 mM | |
10 | EDTA | natural abundance | 2 mM | |
11 | sodium azide | natural abundance | 1 mM | |
12 | D2O | natural abundance | 100 % |
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 |
31P | DSS | methyl protons | 0.0 ppm | na | indirect | 0.4048086 |
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 |
31P | DSS | methyl protons | 0.0 ppm | na | indirect | 0.4048086 |
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 |
31P | DSS | methyl protons | 0.0 ppm | na | indirect | 0.4048086 |
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 |
31P | DSS | methyl protons | 0.0 ppm | na | indirect | 0.4048086 |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RRM | natural abundance | 1.2 ~ 1.4 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | EDTA | natural abundance | 2 mM | |
5 | sodium azide | natural abundance | 1 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RRM | natural abundance | 1.2 ~ 1.4 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | EDTA | natural abundance | 2 mM | |
5 | sodium azide | natural abundance | 1 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RRM | natural abundance | 1.2 ~ 1.4 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | EDTA | natural abundance | 2 mM | |
5 | sodium azide | natural abundance | 1 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RRM | natural abundance | 1.2 ~ 1.4 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | EDTA | natural abundance | 2 mM | |
5 | sodium azide | natural abundance | 1 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RRM | natural abundance | 1.2 ~ 1.4 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | EDTA | natural abundance | 2 mM | |
5 | sodium azide | natural abundance | 1 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RRM | natural abundance | 1.2 ~ 1.4 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | EDTA | natural abundance | 2 mM | |
5 | sodium azide | natural abundance | 1 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RRM | natural abundance | 1.2 ~ 1.4 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | EDTA | natural abundance | 2 mM | |
5 | sodium azide | natural abundance | 1 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RRM | natural abundance | 1.2 ~ 1.4 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | EDTA | natural abundance | 2 mM | |
5 | sodium azide | natural abundance | 1 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | sodium phosphate | natural abundance | 40 mM | |
9 | sodium chloride | natural abundance | 50 mM | |
10 | EDTA | natural abundance | 2 mM | |
11 | sodium azide | natural abundance | 1 mM | |
12 | D2O | natural abundance | 100 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | sodium phosphate | natural abundance | 40 mM | |
9 | sodium chloride | natural abundance | 50 mM | |
10 | EDTA | natural abundance | 2 mM | |
11 | sodium azide | natural abundance | 1 mM | |
12 | D2O | natural abundance | 100 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | sodium phosphate | natural abundance | 40 mM | |
9 | sodium chloride | natural abundance | 50 mM | |
10 | EDTA | natural abundance | 2 mM | |
11 | sodium azide | natural abundance | 1 mM | |
12 | D2O | natural abundance | 100 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | sodium phosphate | natural abundance | 40 mM | |
9 | sodium chloride | natural abundance | 50 mM | |
10 | EDTA | natural abundance | 2 mM | |
11 | sodium azide | natural abundance | 1 mM | |
12 | D2O | natural abundance | 100 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_18017_2lkz.nef |
Input source #2: Coordindates | 2lkz.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----- MGHHHHHHMDTIILRNIAPHTVVDSIMTALSPYASLAVNNIRLIKDKQTQQNRGFAFVQLSSAMDASQLLQILQSLHPPLKIDGKTIGVDFAKSA ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MGHHHHHHMDTIILRNIAPHTVVDSIMTALSPYASLAVNNIRLIKDKQTQQNRGFAFVQLSSAMDASQLLQILQSLHPPLKIDGKTIGVDFAKSA
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 95 | 0 | 0 | 100.0 |
Content subtype: combined_18017_2lkz.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90----- MGHHHHHHMDTIILRNIAPHTVVDSIMTALSPYASLAVNNIRLIKDKQTQQNRGFAFVQLSSAMDASQLLQILQSLHPPLKIDGKTIGVDFAKSA ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ........MDTIILRNIAPHTVVDSIMTALSPYASLAVNNIRLIKDKQTQQNRGFAFVQLSSAMDASQLLQILQSLHPPLKIDGKTIGVDFAKSA
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 569 | 512 | 90.0 |
13C chemical shifts | 432 | 366 | 84.7 |
15N chemical shifts | 105 | 94 | 89.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 190 | 173 | 91.1 |
13C chemical shifts | 190 | 168 | 88.4 |
15N chemical shifts | 91 | 83 | 91.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 379 | 339 | 89.4 |
13C chemical shifts | 242 | 198 | 81.8 |
15N chemical shifts | 14 | 11 | 78.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 66 | 65 | 98.5 |
13C chemical shifts | 66 | 65 | 98.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 35 | 14 | 40.0 |
13C chemical shifts | 35 | 0 | 0.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90----- MGHHHHHHMDTIILRNIAPHTVVDSIMTALSPYASLAVNNIRLIKDKQTQQNRGFAFVQLSSAMDASQLLQILQSLHPPLKIDGKTIGVDFAKSA ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ........MDTIILRNIAPHTVVDSIMTALSPYASLAVNNIRLIKDKQTQQNRGFAFVQLSSAMDASQLLQILQSLHPPLKIDGKTIGVDFAKSA