N0N1 domains of Neisseria meningitidis Pilus assembly protein PilQ
MGSSHHHHHH SSGLVPRGSH MASMTGGQQM GRGSFTGRKI SLDFQDVEIR TILQILAKES GMNIVASDSV NGKMTLSLKD VPWDQALDLV MQARNLDMRQ QGNIVNIAPR DELLAKDKAF LQAEKDIADL GALYSQNFQL KYKNVEEFRS ILRLDNADTT GNRNTLVSGR GSVLIDPATN TLIVTDTRSV IEKFRKLIDE LDVPAQQVMI EARIVEAADG FSRDLGVKFG ATGKKKL
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 68.4 % (1858 of 2716) | 61.9 % (874 of 1413) | 73.0 % (764 of 1046) | 85.6 % (220 of 257) |
Backbone | 89.9 % (1269 of 1412) | 88.1 % (430 of 488) | 90.6 % (627 of 692) | 91.4 % (212 of 232) |
Sidechain | 51.7 % (787 of 1522) | 48.0 % (444 of 925) | 58.6 % (335 of 572) | 32.0 % (8 of 25) |
Aromatic | 20.6 % (28 of 136) | 22.1 % (15 of 68) | 17.9 % (12 of 67) | 100.0 % (1 of 1) |
Methyl | 73.6 % (206 of 280) | 73.6 % (103 of 140) | 73.6 % (103 of 140) |
1. PilQ N0N1
MGSSHHHHHH SSGLVPRGSH MASMTGGQQM GRGSFTGRKI SLDFQDVEIR TILQILAKES GMNIVASDSV NGKMTLSLKD VPWDQALDLV MQARNLDMRQ QGNIVNIAPR DELLAKDKAF LQAEKDIADL GALYSQNFQL KYKNVEEFRS ILRLDNADTT GNRNTLVSGR GSVLIDPATN TLIVTDTRSV IEKFRKLIDE LDVPAQQVMI EARIVEAADG FSRDLGVKFG ATGKKKLSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PilQ_N0N1 | [U-98% 13C; U-98% 15N] | 600 (±100.0) uM | |
2 | sodium chloride | natural abundance | 50 (±1.0) mM | |
3 | potassium phosphate | natural abundance | 50 (±1.0) mM | |
4 | sodium azide | natural abundance | 0.2 (±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 Avance - 800 MHz equipped with TCI cryporobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PilQ_N0N1 | [U-98% 13C; U-98% 15N] | 600 (±100.0) uM | |
2 | sodium chloride | natural abundance | 50 (±1.0) mM | |
3 | potassium phosphate | natural abundance | 50 (±1.0) mM | |
4 | sodium azide | natural abundance | 0.2 (±0.02) % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz equipped with TCI cryporobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PilQ_N0N1 | [U-98% 13C; U-98% 15N] | 600 (±100.0) uM | |
2 | sodium chloride | natural abundance | 50 (±1.0) mM | |
3 | potassium phosphate | natural abundance | 50 (±1.0) mM | |
4 | sodium azide | natural abundance | 0.2 (±0.02) % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz equipped with TCI cryporobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PilQ_N0N1 | [U-98% 13C; U-98% 15N] | 600 (±100.0) uM | |
2 | sodium chloride | natural abundance | 50 (±1.0) mM | |
3 | potassium phosphate | natural abundance | 50 (±1.0) mM | |
4 | sodium azide | natural abundance | 0.2 (±0.02) % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz equipped with TCI cryporobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PilQ_N0N1 | [U-98% 13C; U-98% 15N] | 600 (±100.0) uM | |
2 | sodium chloride | natural abundance | 50 (±1.0) mM | |
3 | potassium phosphate | natural abundance | 50 (±1.0) mM | |
4 | sodium azide | natural abundance | 0.2 (±0.02) % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz equipped with TCI cryporobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PilQ_N0N1 | [U-98% 13C; U-98% 15N] | 600 (±100.0) uM | |
2 | sodium chloride | natural abundance | 50 (±1.0) mM | |
3 | potassium phosphate | natural abundance | 50 (±1.0) mM | |
4 | sodium azide | natural abundance | 0.2 (±0.02) % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz equipped with TCI cryporobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PilQ_N0N1 | [U-98% 13C; U-98% 15N] | 600 (±100.0) uM | |
2 | sodium chloride | natural abundance | 50 (±1.0) mM | |
3 | potassium phosphate | natural abundance | 50 (±1.0) mM | |
4 | sodium azide | natural abundance | 0.2 (±0.02) % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz equipped with TCI cryporobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PilQ_N0N1 | [U-98% 13C; U-98% 15N] | 600 (±100.0) uM | |
2 | sodium chloride | natural abundance | 50 (±1.0) mM | |
3 | potassium phosphate | natural abundance | 50 (±1.0) mM | |
4 | sodium azide | natural abundance | 0.2 (±0.02) % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz equipped with TCI cryporobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PilQ_N0N1 | [U-98% 13C; U-98% 15N] | 600 (±100.0) uM | |
2 | sodium chloride | natural abundance | 50 (±1.0) mM | |
3 | potassium phosphate | natural abundance | 50 (±1.0) mM | |
4 | sodium azide | natural abundance | 0.2 (±0.02) % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz equipped with TCI cryporobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PilQ_N0N1 | [U-98% 13C; U-98% 15N] | 600 (±100.0) uM | |
2 | sodium chloride | natural abundance | 50 (±1.0) mM | |
3 | potassium phosphate | natural abundance | 50 (±1.0) mM | |
4 | sodium azide | natural abundance | 0.2 (±0.02) % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz equipped with TCI cryporobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PilQ_N0N1 | [U-98% 13C; U-98% 15N] | 600 (±100.0) uM | |
2 | sodium chloride | natural abundance | 50 (±1.0) mM | |
3 | potassium phosphate | natural abundance | 50 (±1.0) mM | |
4 | sodium azide | natural abundance | 0.2 (±0.02) % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz equipped with TCI cryporobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PilQ_N0N1 | [U-98% 13C; U-98% 15N] | 600 (±100.0) uM | |
2 | sodium chloride | natural abundance | 50 (±1.0) mM | |
3 | potassium phosphate | natural abundance | 50 (±1.0) mM | |
4 | sodium azide | natural abundance | 0.2 (±0.02) % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz equipped with TCI cryporobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PilQ_N0N1 | [U-98% 13C; U-98% 15N] | 600 (±100.0) uM | |
2 | sodium chloride | natural abundance | 50 (±1.0) mM | |
3 | potassium phosphate | natural abundance | 50 (±1.0) mM | |
4 | sodium azide | natural abundance | 0.2 (±0.02) % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz equipped with TCI cryporobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PilQ_N0N1 | [U-98% 13C; U-98% 15N] | 600 (±100.0) uM | |
2 | sodium chloride | natural abundance | 50 (±1.0) mM | |
3 | potassium phosphate | natural abundance | 50 (±1.0) mM | |
4 | sodium azide | natural abundance | 0.2 (±0.02) % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz equipped with TCI cryporobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PilQ_N0N1 | [U-98% 13C; U-98% 15N] | 600 (±100.0) uM | |
2 | sodium chloride | natural abundance | 50 (±1.0) mM | |
3 | potassium phosphate | natural abundance | 50 (±1.0) mM | |
4 | sodium azide | natural abundance | 0.2 (±0.02) % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz equipped with TCI cryporobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PilQ_N0N1 | [U-98% 13C; U-98% 15N] | 600 (±100.0) uM | |
2 | sodium chloride | natural abundance | 50 (±1.0) mM | |
3 | potassium phosphate | natural abundance | 50 (±1.0) mM | |
4 | sodium azide | natural abundance | 0.2 (±0.02) % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz equipped with TCI cryporobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PilQ_N0N1 | [U-98% 13C; U-98% 15N] | 600 (±100.0) uM | |
2 | sodium chloride | natural abundance | 50 (±1.0) mM | |
3 | potassium phosphate | natural abundance | 50 (±1.0) mM | |
4 | sodium azide | natural abundance | 0.2 (±0.02) % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Properties
Disulfide bonds
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneContent subtype: bmr18428_3.str
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MGSSHHHHHHSSGLVPRGSHMASMTGGQQMGRGSFTGRKISLDFQDVEIRTILQILAKESGMNIVASDSVNGKMTLSLKDVPWDQALDLVMQARNLDMRQ || |||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .GS......HSSGLV....HMASMTGGQQMGRGSFTGRKISLDFQDVEIRTILQILAKESGMNIVASDSVNGKMTLSLKDVPWDQALDLVMQARNLDMRQ -------110-------120-------130-------140-------150-------160-------170-------180-------190-------200 QGNIVNIAPRDELLAKDKAFLQAEKDIADLGALYSQNFQLKYKNVEEFRSILRLDNADTTGNRNTLVSGRGSVLIDPATNTLIVTDTRSVIEKFRKLIDE |||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||||| |||||| |||||||||||||||||||||||| QGNIVNIAPRDELLAKDKAFLQAEKDIADLGALY...FQLKYKNVEEFRSILRLDNADTTGNRNTLV.GRGSVL..PATNTLIVTDTRSVIEKFRKLIDE -------210-------220-------230------- LDVPAQQVMIEARIVEAADGFSRDLGVKFGATGKKKL |||||||| |||||||||||||||||||||||||| LDVPAQQV...ARIVEAADGFSRDLGVKFGATGKKKL
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 1413 | 781 | 55.3 |
15N chemical shifts | 272 | 209 | 76.8 |
13C chemical shifts | 1046 | 721 | 68.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 488 | 420 | 86.1 |
15N chemical shifts | 232 | 208 | 89.7 |
13C chemical shifts | 474 | 428 | 90.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 925 | 361 | 39.0 |
15N chemical shifts | 40 | 1 | 2.5 |
13C chemical shifts | 572 | 293 | 51.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 149 | 92 | 61.7 |
13C chemical shifts | 149 | 92 | 61.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 68 | 6 | 8.8 |
15N chemical shifts | 1 | 1 | 100.0 |
13C chemical shifts | 67 | 5 | 7.5 |