Solution structure of translation initiation factor from Staphylococcus aureus Mu50
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 74.2 % (637 of 859) | 67.6 % (303 of 448) | 79.3 % (268 of 338) | 90.4 % (66 of 73) |
Backbone | 93.0 % (396 of 426) | 91.8 % (134 of 146) | 93.4 % (197 of 211) | 94.2 % (65 of 69) |
Sidechain | 60.8 % (304 of 500) | 56.0 % (169 of 302) | 69.1 % (134 of 194) | 25.0 % (1 of 4) |
Aromatic | 0.0 % (0 of 50) | 0.0 % (0 of 25) | 0.0 % (0 of 25) | |
Methyl | 76.1 % (70 of 92) | 71.7 % (33 of 46) | 80.4 % (37 of 46) |
1. Translation factor
MAKQDVIELE GTVLDTLPNA MFKVELENGH EILAHVSGKI RMNYIRILPG DKVTVEMSPY DLTRGRITYR YKSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PMSF | natural abundance | 0.1 mM | |
2 | EDTA | natural abundance | 1 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | MES | natural abundance | 20 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
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 |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PMSF | natural abundance | 0.1 mM | |
2 | EDTA | natural abundance | 1 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | MES | natural abundance | 20 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PMSF | natural abundance | 0.1 mM | |
2 | EDTA | natural abundance | 1 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | MES | natural abundance | 20 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PMSF | natural abundance | 0.1 mM | |
2 | EDTA | natural abundance | 1 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | MES | natural abundance | 20 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PMSF | natural abundance | 0.1 mM | |
2 | EDTA | natural abundance | 1 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | MES | natural abundance | 20 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PMSF | natural abundance | 0.1 mM | |
2 | EDTA | natural abundance | 1 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | MES | natural abundance | 20 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PMSF | natural abundance | 0.1 mM | |
2 | EDTA | natural abundance | 1 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | MES | natural abundance | 20 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PMSF | natural abundance | 0.1 mM | |
2 | EDTA | natural abundance | 1 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | MES | natural abundance | 20 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PMSF | natural abundance | 0.1 mM | |
2 | EDTA | natural abundance | 1 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | MES | natural abundance | 20 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PMSF | natural abundance | 0.1 mM | |
2 | EDTA | natural abundance | 1 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | MES | natural abundance | 20 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PMSF | natural abundance | 0.1 mM | |
2 | EDTA | natural abundance | 1 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | MES | natural abundance | 20 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_25856_2n8n.nef |
Input source #2: Coordindates | 2n8n.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-- MAKQDVIELEGTVLDTLPNAMFKVELENGHEILAHVSGKIRMNYIRILPGDKVTVEMSPYDLTRGRITYRYK |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MAKQDVIELEGTVLDTLPNAMFKVELENGHEILAHVSGKIRMNYIRILPGDKVTVEMSPYDLTRGRITYRYK
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 72 | 0 | 0 | 100.0 |
Content subtype: combined_25856_2n8n.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70-- MAKQDVIELEGTVLDTLPNAMFKVELENGHEILAHVSGKIRMNYIRILPGDKVTVEMSPYDLTRGRITYRYK |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ....DVIELEGTVLDTLPNAMFKVELENGHEILAHVSGKIRMNYIRILPGDKVTVEMSPYDLTRGRITYRYK
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 448 | 308 | 68.8 |
13C chemical shifts | 338 | 269 | 79.6 |
15N chemical shifts | 78 | 65 | 83.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 146 | 138 | 94.5 |
13C chemical shifts | 144 | 136 | 94.4 |
15N chemical shifts | 69 | 65 | 94.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 302 | 170 | 56.3 |
13C chemical shifts | 194 | 133 | 68.6 |
15N chemical shifts | 9 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 50 | 35 | 70.0 |
13C chemical shifts | 50 | 38 | 76.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 25 | 0 | 0.0 |
13C chemical shifts | 25 | 0 | 0.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70-- MAKQDVIELEGTVLDTLPNAMFKVELENGHEILAHVSGKIRMNYIRILPGDKVTVEMSPYDLTRGRITYRYK |||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||| ....DVIELEGTVLDTLPNAMFKVELENGHEILAHVSG.IRMNYIRILPGDKVTVEMSPYDLTRGRITYRY --------10--------20--------30--------40--------50--------60--------70-
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70-- MAKQDVIELEGTVLDTLPNAMFKVELENGHEILAHVSGKIRMNYIRILPGDKVTVEMSPYDLTRGRITYRYK ||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||| ....DVIELEGTVLDTLPNAMFKVELENGHEILAHVSGKIRMN.IRILPGDKVTVEMSPYDLTRGRITYRYK