Domain 2 of E. coli ribosomal protein S1
GSHMTESFAQ LFEESLKEIE TRPGSIVRGV VVAIDKDVVL VDAGLKSESA IPAEQFKNAQ GELEIQVGDE VDVALDAVED GFGETLLSRE KAKRHEAWIT LEKAYEDAET VTGVINGKVK GGFTVELNGI RAFLPGSLVD VRPVRDTLHL EGKELEFKVI KLDQKRNNVV VSRRAVIESE NS
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 86.5 % (1792 of 2072) | 84.7 % (908 of 1072) | 87.3 % (707 of 810) | 93.2 % (177 of 190) |
Backbone | 93.4 % (1012 of 1084) | 94.7 % (355 of 375) | 92.5 % (491 of 531) | 93.3 % (166 of 178) |
Sidechain | 80.8 % (933 of 1155) | 79.3 % (553 of 697) | 82.7 % (369 of 446) | 91.7 % (11 of 12) |
Aromatic | 69.6 % (71 of 102) | 94.1 % (48 of 51) | 44.0 % (22 of 50) | 100.0 % (1 of 1) |
Methyl | 92.1 % (221 of 240) | 92.5 % (111 of 120) | 91.7 % (110 of 120) |
1. S1F12
GSHMTESFAQ LFEESLKEIE TRPGSIVRGV VVAIDKDVVL VDAGLKSESA IPAEQFKNAQ GELEIQVGDE VDVALDAVED GFGETLLSRE KAKRHEAWIT LEKAYEDAET VTGVINGKVK GGFTVELNGI RAFLPGSLVD VRPVRDTLHL EGKELEFKVI KLDQKRNNVV VSRRAVIESE NSSolvent system 93% H2O/7% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.800 (±0.10)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | S1F12 | [U-99% 13C; U-99% 15N; U-80% 2H] | 0.25 (±0.025) mM | |
2 | sodium phosphate | natural abundance | 25.0 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200.0 (±2.0) mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | [U-100% 2H] | 7 % |
Solvent system 93% H2O/7% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.800 (±0.10)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | S1F12 | [U-99% 13C; U-99% 15N] | 0.2 (±0.02) mM | |
7 | potassium phosphate | natural abundance | 50.0 (±1.0) mM | |
8 | potassium chloride | natural abundance | 200.0 (±2.0) mM | |
9 | H2O | natural abundance | 93 % | |
10 | D2O | [U-100% 2H] | 7 % |
Solvent system 100% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.800 (±0.10)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | S1F12 | [U-99% 13C; U-99% 15N] | 0.2 (±0.02) mM | |
12 | potassium phosphate | natural abundance | 50.0 (±1.0) mM | |
13 | potassium chloride | natural abundance | 200.0 (±2.0) mM | |
14 | D2O | [U-100% 2H] | 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 |
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 93% H2O/7% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.800 (±0.10)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | S1F12 | [U-99% 13C; U-99% 15N; U-80% 2H] | 0.25 (±0.025) mM | |
2 | sodium phosphate | natural abundance | 25.0 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200.0 (±2.0) mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | [U-100% 2H] | 7 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.800 (±0.10)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | S1F12 | [U-99% 13C; U-99% 15N; U-80% 2H] | 0.25 (±0.025) mM | |
2 | sodium phosphate | natural abundance | 25.0 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200.0 (±2.0) mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | [U-100% 2H] | 7 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.800 (±0.10)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | S1F12 | [U-99% 13C; U-99% 15N; U-80% 2H] | 0.25 (±0.025) mM | |
2 | sodium phosphate | natural abundance | 25.0 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200.0 (±2.0) mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | [U-100% 2H] | 7 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.800 (±0.10)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | S1F12 | [U-99% 13C; U-99% 15N; U-80% 2H] | 0.25 (±0.025) mM | |
2 | sodium phosphate | natural abundance | 25.0 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200.0 (±2.0) mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | [U-100% 2H] | 7 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.800 (±0.10)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | S1F12 | [U-99% 13C; U-99% 15N; U-80% 2H] | 0.25 (±0.025) mM | |
2 | sodium phosphate | natural abundance | 25.0 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200.0 (±2.0) mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | [U-100% 2H] | 7 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.800 (±0.10)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | S1F12 | [U-99% 13C; U-99% 15N; U-80% 2H] | 0.25 (±0.025) mM | |
2 | sodium phosphate | natural abundance | 25.0 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200.0 (±2.0) mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | [U-100% 2H] | 7 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.800 (±0.10)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | S1F12 | [U-99% 13C; U-99% 15N; U-80% 2H] | 0.25 (±0.025) mM | |
2 | sodium phosphate | natural abundance | 25.0 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200.0 (±2.0) mM | |
4 | H2O | natural abundance | 93 % | |
5 | D2O | [U-100% 2H] | 7 % |
Bruker Avance - 950 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.800 (±0.10)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | S1F12 | [U-99% 13C; U-99% 15N] | 0.2 (±0.02) mM | |
7 | potassium phosphate | natural abundance | 50.0 (±1.0) mM | |
8 | potassium chloride | natural abundance | 200.0 (±2.0) mM | |
9 | H2O | natural abundance | 93 % | |
10 | D2O | [U-100% 2H] | 7 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.800 (±0.10)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | S1F12 | [U-99% 13C; U-99% 15N] | 0.2 (±0.02) mM | |
7 | potassium phosphate | natural abundance | 50.0 (±1.0) mM | |
8 | potassium chloride | natural abundance | 200.0 (±2.0) mM | |
9 | H2O | natural abundance | 93 % | |
10 | D2O | [U-100% 2H] | 7 % |
Bruker Avance - 950 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.800 (±0.10)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | S1F12 | [U-99% 13C; U-99% 15N] | 0.2 (±0.02) mM | |
7 | potassium phosphate | natural abundance | 50.0 (±1.0) mM | |
8 | potassium chloride | natural abundance | 200.0 (±2.0) mM | |
9 | H2O | natural abundance | 93 % | |
10 | D2O | [U-100% 2H] | 7 % |
Bruker Avance - 950 MHz
State isotropic, Solvent system 100% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.800 (±0.10)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | S1F12 | [U-99% 13C; U-99% 15N] | 0.2 (±0.02) mM | |
12 | potassium phosphate | natural abundance | 50.0 (±1.0) mM | |
13 | potassium chloride | natural abundance | 200.0 (±2.0) mM | |
14 | D2O | [U-100% 2H] | 100 % |
Bruker Avance - 950 MHz
State isotropic, Solvent system 100% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.800 (±0.10)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | S1F12 | [U-99% 13C; U-99% 15N] | 0.2 (±0.02) mM | |
12 | potassium phosphate | natural abundance | 50.0 (±1.0) mM | |
13 | potassium chloride | natural abundance | 200.0 (±2.0) mM | |
14 | D2O | [U-100% 2H] | 100 % |
Bruker Avance - 950 MHz
State isotropic, Solvent system 100% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.800 (±0.10)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | S1F12 | [U-99% 13C; U-99% 15N] | 0.2 (±0.02) mM | |
12 | potassium phosphate | natural abundance | 50.0 (±1.0) mM | |
13 | potassium chloride | natural abundance | 200.0 (±2.0) mM | |
14 | D2O | [U-100% 2H] | 100 % |
Bruker Avance - 950 MHz
State isotropic, Solvent system 100% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.800 (±0.10)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | S1F12 | [U-99% 13C; U-99% 15N] | 0.2 (±0.02) mM | |
12 | potassium phosphate | natural abundance | 50.0 (±1.0) mM | |
13 | potassium chloride | natural abundance | 200.0 (±2.0) mM | |
14 | D2O | [U-100% 2H] | 100 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 100% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.800 (±0.10)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | S1F12 | [U-99% 13C; U-99% 15N] | 0.2 (±0.02) mM | |
12 | potassium phosphate | natural abundance | 50.0 (±1.0) mM | |
13 | potassium chloride | natural abundance | 200.0 (±2.0) mM | |
14 | D2O | [U-100% 2H] | 100 % |
Bruker Avance - 950 MHz
State isotropic, Solvent system 100% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.800 (±0.10)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | S1F12 | [U-99% 13C; U-99% 15N] | 0.2 (±0.02) mM | |
12 | potassium phosphate | natural abundance | 50.0 (±1.0) mM | |
13 | potassium chloride | natural abundance | 200.0 (±2.0) mM | |
14 | D2O | [U-100% 2H] | 100 % |
Bruker Avance - 950 MHz
State isotropic, Solvent system 100% D2O, Pressure 1.000 (±0.01) atm, Temperature 293.000 (±0.50) K, pH 6.800 (±0.10)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | S1F12 | [U-99% 13C; U-99% 15N] | 0.2 (±0.02) mM | |
12 | potassium phosphate | natural abundance | 50.0 (±1.0) mM | |
13 | potassium chloride | natural abundance | 200.0 (±2.0) mM | |
14 | D2O | [U-100% 2H] | 100 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_19554_2mfl.nef |
Input source #2: Coordindates | 2mfl.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------- GSHMTESFAQLFEESLKEIETRPGSIVRGVVVAIDKDVVLVDAGLKSESAIPAEQFKNAQGELEIQVGDEVDVALDAVEDGFGETLLSREKAKRHEAWIT |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSHMTESFAQLFEESLKEIETRPGSIVRGVVVAIDKDVVLVDAGLKSESAIPAEQFKNAQGELEIQVGDEVDVALDAVEDGFGETLLSREKAKRHEAWIT --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 100-------110-------120-------130-------140-------150-------160-------170--------- LEKAYEDAETVTGVINGKVKGGFTVELNGIRAFLPGSLVDVRPVRDTLHLEGKELEFKVIKLDQKRNNVVVSRRAVIESENS |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| LEKAYEDAETVTGVINGKVKGGFTVELNGIRAFLPGSLVDVRPVRDTLHLEGKELEFKVIKLDQKRNNVVVSRRAVIESENS -------110-------120-------130-------140-------150-------160-------170-------180--
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 182 | 0 | 0 | 100.0 |
Content subtype: combined_19554_2mfl.nef
Assigned chemical shifts
-----------10--------20--------30--------40--------50--------60--------70--------80--------90------- GSHMTESFAQLFEESLKEIETRPGSIVRGVVVAIDKDVVLVDAGLKSESAIPAEQFKNAQGELEIQVGDEVDVALDAVEDGFGETLLSREKAKRHEAWIT ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ||||||||| ..HMTESFAQLFEESLKEIETRPGSIVRGVVVAIDKDVVLVDAGLKSESAIPAEQFKNAQGELEIQVGDEVDVALDAVEDGFGET......AKRHEAWIT 100-------110-------120-------130-------140-------150-------160-------170--------- LEKAYEDAETVTGVINGKVKGGFTVELNGIRAFLPGSLVDVRPVRDTLHLEGKELEFKVIKLDQKRNNVVVSRRAVIESENS ||||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||||| LEKAYEDAETVTGVINGKVKGGFTVELNGIRAFLPGSLVDV.PVRDTLHLEGKELEFKVIKLDQKRNNVVVSRRAVIESENS
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 1072 | 870 | 81.2 |
13C chemical shifts | 810 | 668 | 82.5 |
15N chemical shifts | 200 | 174 | 87.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 375 | 348 | 92.8 |
13C chemical shifts | 364 | 327 | 89.8 |
15N chemical shifts | 178 | 163 | 91.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 697 | 522 | 74.9 |
13C chemical shifts | 446 | 341 | 76.5 |
15N chemical shifts | 22 | 11 | 50.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 121 | 109 | 90.1 |
13C chemical shifts | 121 | 107 | 88.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 51 | 47 | 92.2 |
13C chemical shifts | 50 | 12 | 24.0 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints