Resonance assignments of protein SSO1118 from hyperthermophilic archaeon Sulfolobus solfataricus P2
MFAVISPSAF GKLKEILGSN KNYKFVITTL GVSFAIKSGI DIDSALDRGV IVRAFSHKPP KVGNLPQYES EAIMVAFELN ALLIAEDKDV INKAKELGVN AIPIEELLAS SLEHHHHHH
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 92.4 % (1283 of 1388) | 92.4 % (661 of 715) | 92.2 % (509 of 552) | 93.4 % (113 of 121) |
Backbone | 93.2 % (656 of 704) | 92.5 % (222 of 240) | 93.7 % (328 of 350) | 93.0 % (106 of 114) |
Sidechain | 90.1 % (717 of 796) | 90.3 % (429 of 475) | 89.5 % (281 of 314) | 100.0 % (7 of 7) |
Aromatic | 55.8 % (58 of 104) | 55.8 % (29 of 52) | 55.8 % (29 of 52) | |
Methyl | 100.0 % (160 of 160) | 100.0 % (80 of 80) | 100.0 % (80 of 80) |
1. sso1118
MFAVISPSAF GKLKEILGSN KNYKFVITTL GVSFAIKSGI DIDSALDRGV IVRAFSHKPP KVGNLPQYES EAIMVAFELN ALLIAEDKDV INKAKELGVN AIPIEELLAS SLEHHHHHHSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sso1118 | natural abundance | 0.8 (±0.1) mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | DSS | natural abundance | 0.02 % | |
4 | sodium azide | natural abundance | 0.02 % | |
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 DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sso1118 | natural abundance | 0.8 (±0.1) mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | DSS | natural abundance | 0.02 % | |
4 | sodium azide | natural abundance | 0.02 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sso1118 | natural abundance | 0.8 (±0.1) mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | DSS | natural abundance | 0.02 % | |
4 | sodium azide | natural abundance | 0.02 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sso1118 | natural abundance | 0.8 (±0.1) mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | DSS | natural abundance | 0.02 % | |
4 | sodium azide | natural abundance | 0.02 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sso1118 | natural abundance | 0.8 (±0.1) mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | DSS | natural abundance | 0.02 % | |
4 | sodium azide | natural abundance | 0.02 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sso1118 | natural abundance | 0.8 (±0.1) mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | DSS | natural abundance | 0.02 % | |
4 | sodium azide | natural abundance | 0.02 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sso1118 | natural abundance | 0.8 (±0.1) mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | DSS | natural abundance | 0.02 % | |
4 | sodium azide | natural abundance | 0.02 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sso1118 | natural abundance | 0.8 (±0.1) mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | DSS | natural abundance | 0.02 % | |
4 | sodium azide | natural abundance | 0.02 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sso1118 | natural abundance | 0.8 (±0.1) mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | DSS | natural abundance | 0.02 % | |
4 | sodium azide | natural abundance | 0.02 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sso1118 | natural abundance | 0.8 (±0.1) mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | DSS | natural abundance | 0.02 % | |
4 | sodium azide | natural abundance | 0.02 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sso1118 | natural abundance | 0.8 (±0.1) mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | DSS | natural abundance | 0.02 % | |
4 | sodium azide | natural abundance | 0.02 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sso1118 | natural abundance | 0.8 (±0.1) mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | DSS | natural abundance | 0.02 % | |
4 | sodium azide | natural abundance | 0.02 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sso1118 | natural abundance | 0.8 (±0.1) mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | DSS | natural abundance | 0.02 % | |
4 | sodium azide | natural abundance | 0.02 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sso1118 | natural abundance | 0.8 (±0.1) mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | DSS | natural abundance | 0.02 % | |
4 | sodium azide | natural abundance | 0.02 % | |
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_17298_2mdt.nef |
Input source #2: Coordindates | 2mdt.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-------100 MFAVISPSAFGKLKEILGSNKNYKFVITTLGVSFAIKSGIDIDSALDRGVIVRAFSHKPPKVGNLPQYESEAIMVAFELNALLIAEDKDVINKAKELGVN |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MFAVISPSAFGKLKEILGSNKNYKFVITTLGVSFAIKSGIDIDSALDRGVIVRAFSHKPPKVGNLPQYESEAIMVAFELNALLIAEDKDVINKAKELGVN -------110--------- AIPIEELLASSLEHHHHHH ||||||||||||||||||| AIPIEELLASSLEHHHHHH
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 119 | 0 | 0 | 100.0 |
Content subtype: combined_17298_2mdt.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MFAVISPSAFGKLKEILGSNKNYKFVITTLGVSFAIKSGIDIDSALDRGVIVRAFSHKPPKVGNLPQYESEAIMVAFELNALLIAEDKDVINKAKELGVN |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MFAVISPSAFGKLKEILGSNKNYKFVITTLGVSFAIKSGIDIDSALDRGVIVRAFSHKPPKVGNLPQYESEAIMVAFELNALLIAEDKDVINKAKELGVN -------110--------- AIPIEELLASSLEHHHHHH ||||||||||||| | AIPIEELLASSLE.....H
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 715 | 662 | 92.6 |
13C chemical shifts | 552 | 510 | 92.4 |
15N chemical shifts | 123 | 113 | 91.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 240 | 227 | 94.6 |
13C chemical shifts | 238 | 226 | 95.0 |
15N chemical shifts | 114 | 106 | 93.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 475 | 435 | 91.6 |
13C chemical shifts | 314 | 284 | 90.4 |
15N chemical shifts | 9 | 7 | 77.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 82 | 82 | 100.0 |
13C chemical shifts | 82 | 82 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 52 | 28 | 53.8 |
13C chemical shifts | 52 | 28 | 53.8 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MFAVISPSAFGKLKEILGSNKNYKFVITTLGVSFAIKSGIDIDSALDRGVIVRAFSHKPPKVGNLPQYESEAIMVAFELNALLIAEDKDVINKAKELGVN |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MFAVISPSAFGKLKEILGSNKNYKFVITTLGVSFAIKSGIDIDSALDRGVIVRAFSHKPPKVGNLPQYESEAIMVAFELNALLIAEDKDVINKAKELGVN -------110--------- AIPIEELLASSLEHHHHHH ||||||||||||| | AIPIEELLASSLE.....H
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MFAVISPSAFGKLKEILGSNKNYKFVITTLGVSFAIKSGIDIDSALDRGVIVRAFSHKPPKVGNLPQYESEAIMVAFELNALLIAEDKDVINKAKELGVN |||||| |||||||||| ||||||||||||||| |||||||| | | |||||||||||||| |||| ||||||||||| | MFAVIS.....KLKEILGSNK..KFVITTLGVSFAIKS...IDSALDRG.I.R............PQYESEAIMVAFEL..LLIA.DKDVINKAKEL..N --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110--------- AIPIEELLASSLEHHHHHH ||||||||| .IPIEELLAS -------110
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MFAVISPSAFGKLKEILGSNKNYKFVITTLGVSFAIKSGIDIDSALDRGVIVRAFSHKPPKVGNLPQYESEAIMVAFELNALLIAEDKDVINKAKELGVN |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MFAVISPSAFGKLKEILGSNKNYKFVITTLGVSFAIKSGIDIDSALDRGVIVRAFSHKPPKVGNLPQYESEAIMVAFELNALLIAEDKDVINKAKELGVN --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110--------- AIPIEELLASSLEHHHHHH |||||||||||||| AIPIEELLASSLEH -------110----