NMR structure of the RRM3 domain of Hrb1
GSVNEEARKF TENVVGGGER NRLIYCSNLP FSTAKSDLYD LFETIGKVNN AELRYDSKGA PTGIAVVEYD NVDDADVCIE RLNNYNYGGC DLDISYAKRL
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 86.2 % (962 of 1116) | 95.8 % (552 of 576) | 70.4 % (304 of 432) | 98.1 % (106 of 108) |
Backbone | 84.6 % (504 of 596) | 97.6 % (202 of 207) | 70.8 % (206 of 291) | 98.0 % (96 of 98) |
Sidechain | 89.9 % (549 of 611) | 94.9 % (350 of 369) | 81.5 % (189 of 232) | 100.0 % (10 of 10) |
Aromatic | 51.2 % (44 of 86) | 100.0 % (43 of 43) | 2.3 % (1 of 43) | |
Methyl | 100.0 % (106 of 106) | 100.0 % (53 of 53) | 100.0 % (53 of 53) |
1. RRM3
GSVNEEARKF TENVVGGGER NRLIYCSNLP FSTAKSDLYD LFETIGKVNN AELRYDSKGA PTGIAVVEYD NVDDADVCIE RLNNYNYGGC DLDISYAKRLSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RRM3 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | potassium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 25 mM | |
4 | DTT | natural abundance | 0.1 mM | |
5 | D2O | natural abundance | 10 % | |
6 | H2O | natural abundance | 90 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | RRM3 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
8 | potassium phosphate | natural abundance | 25 mM | |
9 | sodium chloride | natural abundance | 25 mM | |
10 | DTT | natural abundance | 0.1 mM | |
11 | 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 |
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 |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RRM3 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | potassium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 25 mM | |
4 | DTT | natural abundance | 0.1 mM | |
5 | D2O | natural abundance | 10 % | |
6 | H2O | natural abundance | 90 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | RRM3 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
8 | potassium phosphate | natural abundance | 25 mM | |
9 | sodium chloride | natural abundance | 25 mM | |
10 | DTT | natural abundance | 0.1 mM | |
11 | D2O | natural abundance | 100 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RRM3 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | potassium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 25 mM | |
4 | DTT | natural abundance | 0.1 mM | |
5 | D2O | natural abundance | 10 % | |
6 | H2O | natural abundance | 90 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | RRM3 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
8 | potassium phosphate | natural abundance | 25 mM | |
9 | sodium chloride | natural abundance | 25 mM | |
10 | DTT | natural abundance | 0.1 mM | |
11 | D2O | natural abundance | 100 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RRM3 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | potassium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 25 mM | |
4 | DTT | natural abundance | 0.1 mM | |
5 | D2O | natural abundance | 10 % | |
6 | H2O | natural abundance | 90 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | RRM3 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
8 | potassium phosphate | natural abundance | 25 mM | |
9 | sodium chloride | natural abundance | 25 mM | |
10 | DTT | natural abundance | 0.1 mM | |
11 | D2O | natural abundance | 100 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RRM3 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | potassium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 25 mM | |
4 | DTT | natural abundance | 0.1 mM | |
5 | D2O | natural abundance | 10 % | |
6 | H2O | natural abundance | 90 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RRM3 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | potassium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 25 mM | |
4 | DTT | natural abundance | 0.1 mM | |
5 | D2O | natural abundance | 10 % | |
6 | H2O | natural abundance | 90 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RRM3 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | potassium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 25 mM | |
4 | DTT | natural abundance | 0.1 mM | |
5 | D2O | natural abundance | 10 % | |
6 | H2O | natural abundance | 90 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RRM3 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | potassium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 25 mM | |
4 | DTT | natural abundance | 0.1 mM | |
5 | D2O | natural abundance | 10 % | |
6 | H2O | natural abundance | 90 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | RRM3 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
8 | potassium phosphate | natural abundance | 25 mM | |
9 | sodium chloride | natural abundance | 25 mM | |
10 | DTT | natural abundance | 0.1 mM | |
11 | D2O | natural abundance | 100 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_25499_2mzt.nef |
Input source #2: Coordindates | 2mzt.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
---360-------370-------380-------390-------400-------410-------420-------430-------440-------450---- GSVNEEARKFTENVVGGGERNRLIYCSNLPFSTAKSDLYDLFETIGKVNNAELRYDSKGAPTGIAVVEYDNVDDADVCIERLNNYNYGGCDLDISYAKRL |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSVNEEARKFTENVVGGGERNRLIYCSNLPFSTAKSDLYDLFETIGKVNNAELRYDSKGAPTGIAVVEYDNVDDADVCIERLNNYNYGGCDLDISYAKRL --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 100 | 0 | 0 | 100.0 |
Content subtype: combined_25499_2mzt.nef
Assigned chemical shifts
---360-------370-------380-------390-------400-------410-------420-------430-------440-------450---- GSVNEEARKFTENVVGGGERNRLIYCSNLPFSTAKSDLYDLFETIGKVNNAELRYDSKGAPTGIAVVEYDNVDDADVCIERLNNYNYGGCDLDISYAKRL |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSVNEEARKFTENVVGGGERNRLIYCSNLPFSTAKSDLYDLFETIGKVNNAELRYDSKGAPTGIAVVEYDNVDDADVCIERLNNYNYGGCDLDISYAKRL
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
374 | ARG | HH11 | 7.023 |
374 | ARG | HH12 | 6.913 |
374 | ARG | NH1 | 69.345 |
380 | CYS | HG | 1.541 |
387 | THR | HG1 | 6.179 |
398 | THR | HG1 | 5.433 |
416 | THR | HG1 | 4.803 |
432 | CYS | HG | 2.089 |
449 | SER | HG | 6.257 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 576 | 551 | 95.7 |
13C chemical shifts | 432 | 288 | 66.7 |
15N chemical shifts | 114 | 112 | 98.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 207 | 204 | 98.6 |
13C chemical shifts | 200 | 100 | 50.0 |
15N chemical shifts | 98 | 96 | 98.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 369 | 347 | 94.0 |
13C chemical shifts | 232 | 188 | 81.0 |
15N chemical shifts | 16 | 16 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 53 | 53 | 100.0 |
13C chemical shifts | 53 | 53 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 43 | 43 | 100.0 |
13C chemical shifts | 43 | 0 | 0.0 |
Distance restraints
---360-------370-------380-------390-------400-------410-------420-------430-------440-------450---- GSVNEEARKFTENVVGGGERNRLIYCSNLPFSTAKSDLYDLFETIGKVNNAELRYDSKGAPTGIAVVEYDNVDDADVCIERLNNYNYGGCDLDISYAKRL ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .SVNEEARKFTENVVGGGERNRLIYCSNLPFSTAKSDLYDLFETIGKVNNAELRYDSKGAPTGIAVVEYDNVDDADVCIERLNNYNYGGCDLDISYAKRL