Solution NMR structure of the folded N-terminal fragment of UPF0291 protein ynzC from Bacillus subtilis. Northeast Structural Genomics target SR384-1-46.
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 87.2 % (570 of 654) | 87.9 % (304 of 346) | 86.7 % (216 of 249) | 84.7 % (50 of 59) |
Backbone | 85.2 % (276 of 324) | 84.5 % (93 of 110) | 86.3 % (138 of 160) | 83.3 % (45 of 54) |
Sidechain | 86.9 % (332 of 382) | 87.7 % (207 of 236) | 85.1 % (120 of 141) | 100.0 % (5 of 5) |
Aromatic | 42.9 % (18 of 42) | 42.9 % (9 of 21) | 42.9 % (9 of 21) | |
Methyl | 100.0 % (52 of 52) | 100.0 % (26 of 26) | 100.0 % (26 of 26) |
1. SR384-1-46
MISNAKIARI NELAAKAKAG VITEEEKAEQ QKLRQEYLKG FRSSMKLEHH HHHHSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SR384-1-46 | [U-100% 13C; U-100% 15N] | 1.36 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 10 mM | |
5 | calcium chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % |
Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | SR384-1-46 | [U-5% 13C; U-100% 15N] | 1.1 mM | |
8 | MES | natural abundance | 20 mM | |
9 | sodium chloride | natural abundance | 100 mM | |
10 | DTT | natural abundance | 10 mM | |
11 | calcium chloride | natural abundance | 5 mM | |
12 | sodium azide | natural abundance | 0.02 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Bruker Avance - 800 MHz TXI
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SR384-1-46 | [U-100% 13C; U-100% 15N] | 1.36 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 10 mM | |
5 | calcium chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % |
Bruker Avance - 800 MHz TXI
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SR384-1-46 | [U-100% 13C; U-100% 15N] | 1.36 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 10 mM | |
5 | calcium chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % |
Bruker Avance - 800 MHz TXI
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SR384-1-46 | [U-100% 13C; U-100% 15N] | 1.36 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 10 mM | |
5 | calcium chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % |
Bruker Avance - 800 MHz TXI
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SR384-1-46 | [U-100% 13C; U-100% 15N] | 1.36 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 10 mM | |
5 | calcium chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % |
Bruker Avance - 800 MHz TXI
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SR384-1-46 | [U-100% 13C; U-100% 15N] | 1.36 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 10 mM | |
5 | calcium chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % |
Bruker Avance - 800 MHz TXI
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SR384-1-46 | [U-100% 13C; U-100% 15N] | 1.36 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 10 mM | |
5 | calcium chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % |
Bruker Avance - 800 MHz TXI
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SR384-1-46 | [U-100% 13C; U-100% 15N] | 1.36 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 10 mM | |
5 | calcium chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % |
Bruker Avance - 800 MHz TXI
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SR384-1-46 | [U-100% 13C; U-100% 15N] | 1.36 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 10 mM | |
5 | calcium chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % |
Bruker Avance - 800 MHz TXI
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SR384-1-46 | [U-100% 13C; U-100% 15N] | 1.36 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 10 mM | |
5 | calcium chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % |
Bruker Avance - 800 MHz TXI
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SR384-1-46 | [U-100% 13C; U-100% 15N] | 1.36 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 10 mM | |
5 | calcium chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % |
Bruker Avance - 800 MHz TXI
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SR384-1-46 | [U-100% 13C; U-100% 15N] | 1.36 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 10 mM | |
5 | calcium chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % |
Varian INOVA - 600 MHz HCN cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | SR384-1-46 | [U-5% 13C; U-100% 15N] | 1.1 mM | |
8 | MES | natural abundance | 20 mM | |
9 | sodium chloride | natural abundance | 100 mM | |
10 | DTT | natural abundance | 10 mM | |
11 | calcium chloride | natural abundance | 5 mM | |
12 | sodium azide | natural abundance | 0.02 % |
Bruker Avance - 800 MHz TXI
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SR384-1-46 | [U-100% 13C; U-100% 15N] | 1.36 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 10 mM | |
5 | calcium chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_15476_2jvd.nef |
Input source #2: Coordindates | 2jvd.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---- MISNAKIARINELAAKAKAGVITEEEKAEQQKLRQEYLKGFRSSMKLEHHHHHH |||||||||||||||||||||||||||||||||||||||||||||||||||||| MISNAKIARINELAAKAKAGVITEEEKAEQQKLRQEYLKGFRSSMKLEHHHHHH
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 54 | 0 | 0 | 100.0 |
Content subtype: combined_15476_2jvd.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50---- MISNAKIARINELAAKAKAGVITEEEKAEQQKLRQEYLKGFRSSMKLEHHHHHH |||||||||||||||||||||||||||||||||||||||||||||||| MISNAKIARINELAAKAKAGVITEEEKAEQQKLRQEYLKGFRSSMKLE --------10--------20--------30--------40--------
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
4 | ASN | CG | 176.271 |
11 | ASN | CG | 175.418 |
30 | GLN | CD | 178.653 |
31 | GLN | CD | 180.088 |
35 | GLN | CD | 180.198 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 346 | 304 | 87.9 |
13C chemical shifts | 249 | 216 | 86.7 |
15N chemical shifts | 62 | 52 | 83.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 110 | 96 | 87.3 |
13C chemical shifts | 108 | 95 | 88.0 |
15N chemical shifts | 54 | 46 | 85.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 236 | 208 | 88.1 |
13C chemical shifts | 141 | 121 | 85.8 |
15N chemical shifts | 8 | 6 | 75.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 28 | 26 | 92.9 |
13C chemical shifts | 28 | 26 | 92.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 21 | 9 | 42.9 |
13C chemical shifts | 21 | 9 | 42.9 |
Distance restraints
--------10--------20--------30--------40--------50---- MISNAKIARINELAAKAKAGVITEEEKAEQQKLRQEYLKGFRSSMKLEHHHHHH ||||||||||||||||||||||||||||||||||||||||| ||| .ISNAKIARINELAAKAKAGVITEEEKAEQQKLRQEYLKGFR...KLE --------10--------20--------30--------40--------
--------10--------20--------30--------40--------50---- MISNAKIARINELAAKAKAGVITEEEKAEQQKLRQEYLKGFRSSMKLEHHHHHH ||||||||||||||||| |||||||||||||||| ...NAKIARINELAAKAKAG...EEEKAEQQKLRQEYLK --------10--------20--------30---------
Dihedral angle restraints
--------10--------20--------30--------40--------50---- MISNAKIARINELAAKAKAGVITEEEKAEQQKLRQEYLKGFRSSMKLEHHHHHH ||||||||||||||||||||||||||||||||||||||| ..SNAKIARINELAAKAKAGVITEEEKAEQQKLRQEYLKGF --------10--------20--------30--------40-