Solution structure of an archaeal protein SSO6904 from hyperthermophilic Sulfolobus solfataricus
MSILEDPEFV KLRQFKGKVN FNLVMQILDE IELDLRGSDN IKTSIIYVYS SHLDEIRKNK EFYDMIAEIL QRYYKKIGIE NVNQLILTTI KLEHHHHHH
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 89.4 % (1119 of 1252) | 89.5 % (586 of 655) | 89.2 % (436 of 489) | 89.8 % (97 of 108) |
Backbone | 89.2 % (528 of 592) | 89.0 % (178 of 200) | 89.5 % (263 of 294) | 88.8 % (87 of 98) |
Sidechain | 89.0 % (673 of 756) | 88.8 % (404 of 455) | 89.0 % (259 of 291) | 100.0 % (10 of 10) |
Aromatic | 75.9 % (82 of 108) | 77.8 % (42 of 54) | 74.1 % (40 of 54) | |
Methyl | 96.8 % (120 of 124) | 96.8 % (60 of 62) | 96.8 % (60 of 62) |
1. SSO6904
MSILEDPEFV KLRQFKGKVN FNLVMQILDE IELDLRGSDN IKTSIIYVYS SHLDEIRKNK EFYDMIAEIL QRYYKKIGIE NVNQLILTTI KLEHHHHHHSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SS6904 | [U-13C; U-15N] | 1.0 ~ 1.5 mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | D2O | [U-99.8% 2H] | 10 % | |
5 | DSS | natural abundance | 0.02 % w/v | |
6 | sodium azide | natural abundance | 0.02 % w/v | |
7 | arginine | natural abundance | 50 mM | |
8 | glutamic acid | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % |
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 DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SS6904 | [U-13C; U-15N] | 1.0 ~ 1.5 mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | D2O | [U-99.8% 2H] | 10 % | |
5 | DSS | natural abundance | 0.02 % w/v | |
6 | sodium azide | natural abundance | 0.02 % w/v | |
7 | arginine | natural abundance | 50 mM | |
8 | glutamic acid | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SS6904 | [U-13C; U-15N] | 1.0 ~ 1.5 mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | D2O | [U-99.8% 2H] | 10 % | |
5 | DSS | natural abundance | 0.02 % w/v | |
6 | sodium azide | natural abundance | 0.02 % w/v | |
7 | arginine | natural abundance | 50 mM | |
8 | glutamic acid | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SS6904 | [U-13C; U-15N] | 1.0 ~ 1.5 mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | D2O | [U-99.8% 2H] | 10 % | |
5 | DSS | natural abundance | 0.02 % w/v | |
6 | sodium azide | natural abundance | 0.02 % w/v | |
7 | arginine | natural abundance | 50 mM | |
8 | glutamic acid | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SS6904 | [U-13C; U-15N] | 1.0 ~ 1.5 mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | D2O | [U-99.8% 2H] | 10 % | |
5 | DSS | natural abundance | 0.02 % w/v | |
6 | sodium azide | natural abundance | 0.02 % w/v | |
7 | arginine | natural abundance | 50 mM | |
8 | glutamic acid | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SS6904 | [U-13C; U-15N] | 1.0 ~ 1.5 mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | D2O | [U-99.8% 2H] | 10 % | |
5 | DSS | natural abundance | 0.02 % w/v | |
6 | sodium azide | natural abundance | 0.02 % w/v | |
7 | arginine | natural abundance | 50 mM | |
8 | glutamic acid | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SS6904 | [U-13C; U-15N] | 1.0 ~ 1.5 mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | D2O | [U-99.8% 2H] | 10 % | |
5 | DSS | natural abundance | 0.02 % w/v | |
6 | sodium azide | natural abundance | 0.02 % w/v | |
7 | arginine | natural abundance | 50 mM | |
8 | glutamic acid | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SS6904 | [U-13C; U-15N] | 1.0 ~ 1.5 mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | D2O | [U-99.8% 2H] | 10 % | |
5 | DSS | natural abundance | 0.02 % w/v | |
6 | sodium azide | natural abundance | 0.02 % w/v | |
7 | arginine | natural abundance | 50 mM | |
8 | glutamic acid | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SS6904 | [U-13C; U-15N] | 1.0 ~ 1.5 mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | D2O | [U-99.8% 2H] | 10 % | |
5 | DSS | natural abundance | 0.02 % w/v | |
6 | sodium azide | natural abundance | 0.02 % w/v | |
7 | arginine | natural abundance | 50 mM | |
8 | glutamic acid | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SS6904 | [U-13C; U-15N] | 1.0 ~ 1.5 mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | D2O | [U-99.8% 2H] | 10 % | |
5 | DSS | natural abundance | 0.02 % w/v | |
6 | sodium azide | natural abundance | 0.02 % w/v | |
7 | arginine | natural abundance | 50 mM | |
8 | glutamic acid | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SS6904 | [U-13C; U-15N] | 1.0 ~ 1.5 mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | D2O | [U-99.8% 2H] | 10 % | |
5 | DSS | natural abundance | 0.02 % w/v | |
6 | sodium azide | natural abundance | 0.02 % w/v | |
7 | arginine | natural abundance | 50 mM | |
8 | glutamic acid | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SS6904 | [U-13C; U-15N] | 1.0 ~ 1.5 mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | D2O | [U-99.8% 2H] | 10 % | |
5 | DSS | natural abundance | 0.02 % w/v | |
6 | sodium azide | natural abundance | 0.02 % w/v | |
7 | arginine | natural abundance | 50 mM | |
8 | glutamic acid | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SS6904 | [U-13C; U-15N] | 1.0 ~ 1.5 mM | |
2 | potassium phosphate | natural abundance | 50 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | D2O | [U-99.8% 2H] | 10 % | |
5 | DSS | natural abundance | 0.02 % w/v | |
6 | sodium azide | natural abundance | 0.02 % w/v | |
7 | arginine | natural abundance | 50 mM | |
8 | glutamic acid | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_16320_2kjg.nef |
Input source #2: Coordindates | 2kjg.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--------- MSILEDPEFVKLRQFKGKVNFNLVMQILDEIELDLRGSDNIKTSIIYVYSSHLDEIRKNKEFYDMIAEILQRYYKKIGIENVNQLILTTIKLEHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MSILEDPEFVKLRQFKGKVNFNLVMQILDEIELDLRGSDNIKTSIIYVYSSHLDEIRKNKEFYDMIAEILQRYYKKIGIENVNQLILTTIKLEHHHHHH
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 99 | 0 | 0 | 100.0 |
Content subtype: combined_16320_2kjg.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90--------- MSILEDPEFVKLRQFKGKVNFNLVMQILDEIELDLRGSDNIKTSIIYVYSSHLDEIRKNKEFYDMIAEILQRYYKKIGIENVNQLILTTIKLEHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..ILEDPEFVKLRQFKGKVNFNLVMQILDEIELDLRGSDNIKTSIIYVYSSHLDEIRKNKEFYDMIAEILQRYYKKIGIENVNQLILTTIK --------10--------20--------30--------40--------50--------60--------70--------80--------90-
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 655 | 579 | 88.4 |
13C chemical shifts | 489 | 433 | 88.5 |
15N chemical shifts | 112 | 96 | 85.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 200 | 178 | 89.0 |
13C chemical shifts | 198 | 175 | 88.4 |
15N chemical shifts | 98 | 86 | 87.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 455 | 401 | 88.1 |
13C chemical shifts | 291 | 258 | 88.7 |
15N chemical shifts | 14 | 10 | 71.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 65 | 62 | 95.4 |
13C chemical shifts | 65 | 62 | 95.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 54 | 40 | 74.1 |
13C chemical shifts | 54 | 40 | 74.1 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90--------- MSILEDPEFVKLRQFKGKVNFNLVMQILDEIELDLRGSDNIKTSIIYVYSSHLDEIRKNKEFYDMIAEILQRYYKKIGIENVNQLILTTIKLEHHHHHH |||| ||||||| ||| |||||||||||||| ||||||| | | |||||||||||||||||||||||||||| |||||| |||||| ..ILED...VKLRQFK.KVN..LVMQILDEIELDLR.SDNIKTS.I.V.SSHLDEIRKNKEFYDMIAEILQRYYKKI.IENVNQ.ILTTIK --------10--------20--------30--------40--------50--------60--------70--------80--------90-
--------10--------20--------30--------40--------50--------60--------70--------80--------90--------- MSILEDPEFVKLRQFKGKVNFNLVMQILDEIELDLRGSDNIKTSIIYVYSSHLDEIRKNKEFYDMIAEILQRYYKKIGIENVNQLILTTIKLEHHHHHH |||||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||| ||||||||||||| ..ILEDPEFVKLRQFKGKVNFNLVMQILDEIELDLRGS.NIKTSIIYVYSSHLDEIRKNKEFYDMIAEILQRYYKKI.IENVNQLILTTIK --------10--------20--------30--------40--------50--------60--------70--------80--------90-
--------10--------20--------30--------40--------50--------60--------70--------80--------90--------- MSILEDPEFVKLRQFKGKVNFNLVMQILDEIELDLRGSDNIKTSIIYVYSSHLDEIRKNKEFYDMIAEILQRYYKKIGIENVNQLILTTIKLEHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..ILEDPEFVKLRQFKGKVNFNLVMQILDEIELDLRGSDNIKTSIIYVYSSHLDEIRKNKEFYDMIAEILQRYYKKIGIENVNQLILTTIK --------10--------20--------30--------40--------50--------60--------70--------80--------90-
--------10--------20--------30--------40--------50--------60--------70--------80--------90--------- MSILEDPEFVKLRQFKGKVNFNLVMQILDEIELDLRGSDNIKTSIIYVYSSHLDEIRKNKEFYDMIAEILQRYYKKIGIENVNQLILTTIKLEHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..ILEDPEFVKLRQFKGKVNFNLVMQILDEIELDLRGSDNIKTSIIYVYSSHLDEIRKNKEFYDMIAEILQRYYKKIGIENVNQLILTTIK --------10--------20--------30--------40--------50--------60--------70--------80--------90-
--------10--------20--------30--------40--------50--------60--------70--------80--------90--------- MSILEDPEFVKLRQFKGKVNFNLVMQILDEIELDLRGSDNIKTSIIYVYSSHLDEIRKNKEFYDMIAEILQRYYKKIGIENVNQLILTTIKLEHHHHHH |||||||||| ||||||||||||||||| |||||||||||||||| ||||||||||||||||||| ||||||||||||| ......PEFVKLRQFK...NFNLVMQILDEIELDLR...NIKTSIIYVYSSHLDE.RKNKEFYDMIAEILQRYYK...IENVNQLILTTIK --------10--------20--------30--------40--------50--------60--------70--------80--------90-
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90--------- MSILEDPEFVKLRQFKGKVNFNLVMQILDEIELDLRGSDNIKTSIIYVYSSHLDEIRKNKEFYDMIAEILQRYYKKIGIENVNQLILTTIKLEHHHHHH |||||||||||||| ||||||||||||||||||| ||||||||||||||||||||||||||||||||||||||||||||||||||| ..ILEDPEFVKLRQFK.KVNFNLVMQILDEIELDLR....IKTSIIYVYSSHLDEIRKNKEFYDMIAEILQRYYKKIGIENVNQLILTTIK --------10--------20--------30--------40--------50--------60--------70--------80--------90-