Solution structure of the Get5 carboxyl domain from S. cerevisiae
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 93.7 % (696 of 743) | 91.6 % (359 of 392) | 95.8 % (272 of 284) | 97.0 % (65 of 67) |
Backbone | 95.7 % (354 of 370) | 95.9 % (117 of 122) | 95.3 % (182 of 191) | 96.5 % (55 of 57) |
Sidechain | 92.7 % (404 of 436) | 89.6 % (242 of 270) | 97.4 % (152 of 156) | 100.0 % (10 of 10) |
Aromatic | 100.0 % (34 of 34) | 100.0 % (17 of 17) | 100.0 % (15 of 15) | 100.0 % (2 of 2) |
Methyl | 100.0 % (64 of 64) | 100.0 % (32 of 32) | 100.0 % (32 of 32) |
1. Get5
SVDPTISKEP EAEKSTNSPA PAPPQELTVP WDDIEALLKN NFENDQAAVR QVMERLQKGW SLAKSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Get5 | [U-100% 13C; U-100% 15N] | 3.5 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | Get5 | [U-100% 15N] | 2.5 mM | |
7 | sodium phosphate | natural abundance | 20 mM | |
8 | sodium azide | natural abundance | 0.02 % | |
9 | polyacrylamide | natural abundance | 4 % | |
10 | H2O | natural abundance | 90 % | |
11 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
12 | Get5 | [U-100% 15N] | 2.5 mM | |
13 | sodium phosphate | natural abundance | 20 mM | |
14 | sodium azide | natural abundance | 0.02 % | |
15 | H2O | natural abundance | 90 % | |
16 | D2O | natural abundance | 10 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.773 ppm | internal | indirect | 0.255145 |
1H | water | protons | 4.773 ppm | internal | direct | 1.0 |
15N | water | protons | 4.773 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.773 ppm | internal | indirect | 0.255145 |
1H | water | protons | 4.773 ppm | internal | direct | 1.0 |
15N | water | protons | 4.773 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.773 ppm | internal | indirect | 0.255145 |
1H | water | protons | 4.773 ppm | internal | direct | 1.0 |
15N | water | protons | 4.773 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.773 ppm | internal | indirect | 0.255145 |
1H | water | protons | 4.773 ppm | internal | direct | 1.0 |
15N | water | protons | 4.773 ppm | internal | indirect | 0.1013291 |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Get5 | [U-100% 13C; U-100% 15N] | 3.5 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Get5 | [U-100% 13C; U-100% 15N] | 3.5 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Get5 | [U-100% 13C; U-100% 15N] | 3.5 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Get5 | [U-100% 13C; U-100% 15N] | 3.5 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Get5 | [U-100% 13C; U-100% 15N] | 3.5 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Get5 | [U-100% 13C; U-100% 15N] | 3.5 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Get5 | [U-100% 13C; U-100% 15N] | 3.5 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Get5 | [U-100% 13C; U-100% 15N] | 3.5 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Get5 | [U-100% 13C; U-100% 15N] | 3.5 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Get5 | [U-100% 13C; U-100% 15N] | 3.5 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Get5 | [U-100% 13C; U-100% 15N] | 3.5 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Get5 | [U-100% 13C; U-100% 15N] | 3.5 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Get5 | [U-100% 13C; U-100% 15N] | 3.5 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Get5 | [U-100% 13C; U-100% 15N] | 3.5 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Get5 | [U-100% 13C; U-100% 15N] | 3.5 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
12 | Get5 | [U-100% 15N] | 2.5 mM | |
13 | sodium phosphate | natural abundance | 20 mM | |
14 | sodium azide | natural abundance | 0.02 % | |
15 | H2O | natural abundance | 90 % | |
16 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | Get5 | [U-100% 15N] | 2.5 mM | |
7 | sodium phosphate | natural abundance | 20 mM | |
8 | sodium azide | natural abundance | 0.02 % | |
9 | polyacrylamide | natural abundance | 4 % | |
10 | H2O | natural abundance | 90 % | |
11 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints | combined_18186_2lnz.nef |
Input source #2: Coordindates | 2lnz.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
-150-----160-------170-------180-------190-------200-------210-- SVDPTISKEPEAEKSTNSPAPAPPQELTVPWDDIEALLKNNFENDQAAVRQVMERLQKGWSLAK |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| SVDPTISKEPEAEKSTNSPAPAPPQELTVPWDDIEALLKNNFENDQAAVRQVMERLQKGWSLAK --------10--------20--------30--------40--------50--------60----
-150-----160-------170-------180-------190-------200-------210-- SVDPTISKEPEAEKSTNSPAPAPPQELTVPWDDIEALLKNNFENDQAAVRQVMERLQKGWSLAK |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| SVDPTISKEPEAEKSTNSPAPAPPQELTVPWDDIEALLKNNFENDQAAVRQVMERLQKGWSLAK --------10--------20--------30--------40--------50--------60----
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 64 | 0 | 0 | 100.0 |
B | B | 64 | 0 | 0 | 100.0 |
Content subtype: combined_18186_2lnz.nef
Assigned chemical shifts
-150-----160-------170-------180-------190-------200-------210-- SVDPTISKEPEAEKSTNSPAPAPPQELTVPWDDIEALLKNNFENDQAAVRQVMERLQKGWSLAK ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .VDPTISKEPEAEKSTNSPAPAPPQELTVPWDDIEALLKNNFENDQAAVRQVMERLQKGWSLAK
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 392 | 361 | 92.1 |
13C chemical shifts | 284 | 270 | 95.1 |
15N chemical shifts | 69 | 65 | 94.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 122 | 119 | 97.5 |
13C chemical shifts | 128 | 118 | 92.2 |
15N chemical shifts | 57 | 55 | 96.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 270 | 242 | 89.6 |
13C chemical shifts | 156 | 152 | 97.4 |
15N chemical shifts | 12 | 10 | 83.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 33 | 33 | 100.0 |
13C chemical shifts | 33 | 33 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 17 | 17 | 100.0 |
13C chemical shifts | 15 | 15 | 100.0 |
15N chemical shifts | 2 | 2 | 100.0 |
Distance restraints
-150-----160-------170-------180-------190-------200-------210-- SVDPTISKEPEAEKSTNSPAPAPPQELTVPWDDIEALLKNNFENDQAAVRQVMERLQKGWSLAK |||||||||||||||||||||||||||||||||||||||| ........................QELTVPWDDIEALLKNNFENDQAAVRQVMERLQKGWSLAK
-150-----160-------170-------180-------190-------200-------210-- SVDPTISKEPEAEKSTNSPAPAPPQELTVPWDDIEALLKNNFENDQAAVRQVMERLQKGWSLAK |||||||||||||||||||||||||||||||||||||||| ........................QELTVPWDDIEALLKNNFENDQAAVRQVMERLQKGWSLAK
-150-----160-------170-------180-------190-------200-------210-- SVDPTISKEPEAEKSTNSPAPAPPQELTVPWDDIEALLKNNFENDQAAVRQVMERLQKGWSLAK ||||||||||||| ||||||||||||||||||| .............................PWDDIEALLKNNF..DQAAVRQVMERLQKGWSLA -150-----160-------170-------180-------190-------200-------210-
-150-----160-------170-------180-------190-------200-------210-- SVDPTISKEPEAEKSTNSPAPAPPQELTVPWDDIEALLKNNFENDQAAVRQVMERLQKGWSLAK ||||||||||||| ||||||||||||||||||| .............................PWDDIEALLKNNF..DQAAVRQVMERLQKGWSLA -150-----160-------170-------180-------190-------200-------210-
Dihedral angle restraints
-150-----160-------170-------180-------190-------200-------210-- SVDPTISKEPEAEKSTNSPAPAPPQELTVPWDDIEALLKNNFENDQAAVRQVMERLQKGWSLAK ||||||||||||||||||||||||||||||||||||| ..........................LTVPWDDIEALLKNNFENDQAAVRQVMERLQKGWSLA -150-----160-------170-------180-------190-------200-------210-
-150-----160-------170-------180-------190-------200-------210-- SVDPTISKEPEAEKSTNSPAPAPPQELTVPWDDIEALLKNNFENDQAAVRQVMERLQKGWSLAK ||||||||||||||||||||||||||||||||||||| ..........................LTVPWDDIEALLKNNFENDQAAVRQVMERLQKGWSLA -150-----160-------170-------180-------190-------200-------210-
RDC restraints
-150-----160-------170-------180-------190-------200-------210-- SVDPTISKEPEAEKSTNSPAPAPPQELTVPWDDIEALLKNNFENDQAAVRQVMERLQKGWSLAK || || |||||||||| |||| || |||||||| |||||| ........................QE.TV.WDDIEALLKN.FEND.AA.RQVMERLQ.GWSLAK
-150-----160-------170-------180-------190-------200-------210-- SVDPTISKEPEAEKSTNSPAPAPPQELTVPWDDIEALLKNNFENDQAAVRQVMERLQKGWSLAK || || |||||||||| |||| || |||||||| |||||| ........................QE.TV.WDDIEALLKN.FEND.AA.RQVMERLQ.GWSLAK