N0 domain of Neisseria meningitidis Pilus assembly protein PilQ
MKHHHHHHPM SDYDIPTTEN LYFEGAMGFT GRKISLDFQD VEIRTILQIL AKESGMNIVA SDSVNGKMTL SLKDVPWDQA LDLVMQARNL DMRQQGNIVN IAPRDELLAK DKAFLQAEKD IADLGALY
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 91.6 % (1371 of 1496) | 91.4 % (710 of 777) | 91.4 % (531 of 581) | 94.2 % (130 of 138) |
Backbone | 93.0 % (707 of 760) | 93.1 % (241 of 259) | 92.3 % (348 of 377) | 95.2 % (118 of 124) |
Sidechain | 90.9 % (779 of 857) | 90.5 % (469 of 518) | 91.7 % (298 of 325) | 85.7 % (12 of 14) |
Aromatic | 68.0 % (68 of 100) | 68.0 % (34 of 50) | 67.3 % (33 of 49) | 100.0 % (1 of 1) |
Methyl | 98.0 % (145 of 148) | 95.9 % (71 of 74) | 100.0 % (74 of 74) |
1. TYPE IV PILUS BIOGENESIS AND COMPETENCE PROTEIN P
MKHHHHHHPM SDYDIPTTEN LYFEGAMGFT GRKISLDFQD VEIRTILQIL AKESGMNIVA SDSVNGKMTL SLKDVPWDQA LDLVMQARNL DMRQQGNIVN IAPRDELLAK DKAFLQAEKD IADLGALYSolvent system 10% water/90% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.800, Details N0 500uM
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TYPE IV PILUS BIOGENESIS AND COMPETENCE PROTEIN P | [U-13C; U-15N] | 0.5 mM | |
2 | H2O | natural abundance | 10 % | |
3 | D2O | natural abundance | 90 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | DSS | methyl protons | 0.0 ppm | internal | indirect | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | DSS | methyl protons | 0.0 ppm | internal | indirect | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | DSS | methyl protons | 0.0 ppm | internal | indirect | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | DSS | methyl protons | 0.0 ppm | internal | indirect | 1.0 |
Bruker Avance - 800 MHz
State isotropic, Solvent system 10% water/90% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.800, Details N0 500uM
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TYPE IV PILUS BIOGENESIS AND COMPETENCE PROTEIN P | [U-13C; U-15N] | 0.5 mM | |
2 | H2O | natural abundance | 10 % | |
3 | D2O | natural abundance | 90 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 10% water/90% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.800, Details N0 500uM
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TYPE IV PILUS BIOGENESIS AND COMPETENCE PROTEIN P | [U-13C; U-15N] | 0.5 mM | |
2 | H2O | natural abundance | 10 % | |
3 | D2O | natural abundance | 90 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 10% water/90% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.800, Details N0 500uM
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TYPE IV PILUS BIOGENESIS AND COMPETENCE PROTEIN P | [U-13C; U-15N] | 0.5 mM | |
2 | H2O | natural abundance | 10 % | |
3 | D2O | natural abundance | 90 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 10% water/90% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.800, Details N0 500uM
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TYPE IV PILUS BIOGENESIS AND COMPETENCE PROTEIN P | [U-13C; U-15N] | 0.5 mM | |
2 | H2O | natural abundance | 10 % | |
3 | D2O | natural abundance | 90 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 10% water/90% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.800, Details N0 500uM
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TYPE IV PILUS BIOGENESIS AND COMPETENCE PROTEIN P | [U-13C; U-15N] | 0.5 mM | |
2 | H2O | natural abundance | 10 % | |
3 | D2O | natural abundance | 90 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 10% water/90% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.800, Details N0 500uM
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TYPE IV PILUS BIOGENESIS AND COMPETENCE PROTEIN P | [U-13C; U-15N] | 0.5 mM | |
2 | H2O | natural abundance | 10 % | |
3 | D2O | natural abundance | 90 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 10% water/90% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.800, Details N0 500uM
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TYPE IV PILUS BIOGENESIS AND COMPETENCE PROTEIN P | [U-13C; U-15N] | 0.5 mM | |
2 | H2O | natural abundance | 10 % | |
3 | D2O | natural abundance | 90 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 10% water/90% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.800, Details N0 500uM
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TYPE IV PILUS BIOGENESIS AND COMPETENCE PROTEIN P | [U-13C; U-15N] | 0.5 mM | |
2 | H2O | natural abundance | 10 % | |
3 | D2O | natural abundance | 90 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 10% water/90% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.800, Details N0 500uM
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TYPE IV PILUS BIOGENESIS AND COMPETENCE PROTEIN P | [U-13C; U-15N] | 0.5 mM | |
2 | H2O | natural abundance | 10 % | |
3 | D2O | natural abundance | 90 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 10% water/90% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.800, Details N0 500uM
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TYPE IV PILUS BIOGENESIS AND COMPETENCE PROTEIN P | [U-13C; U-15N] | 0.5 mM | |
2 | H2O | natural abundance | 10 % | |
3 | D2O | natural abundance | 90 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 10% water/90% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.800, Details N0 500uM
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TYPE IV PILUS BIOGENESIS AND COMPETENCE PROTEIN P | [U-13C; U-15N] | 0.5 mM | |
2 | H2O | natural abundance | 10 % | |
3 | D2O | natural abundance | 90 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 10% water/90% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.800, Details N0 500uM
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TYPE IV PILUS BIOGENESIS AND COMPETENCE PROTEIN P | [U-13C; U-15N] | 0.5 mM | |
2 | H2O | natural abundance | 10 % | |
3 | D2O | natural abundance | 90 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 10% water/90% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.800, Details N0 500uM
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TYPE IV PILUS BIOGENESIS AND COMPETENCE PROTEIN P | [U-13C; U-15N] | 0.5 mM | |
2 | H2O | natural abundance | 10 % | |
3 | D2O | natural abundance | 90 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 10% water/90% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.800, Details N0 500uM
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TYPE IV PILUS BIOGENESIS AND COMPETENCE PROTEIN P | [U-13C; U-15N] | 0.5 mM | |
2 | H2O | natural abundance | 10 % | |
3 | D2O | natural abundance | 90 % |
Bruker AVANCE - 600 MHz
State isotropic, Solvent system 10% water/90% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.800, Details N0 500uM
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TYPE IV PILUS BIOGENESIS AND COMPETENCE PROTEIN P | [U-13C; U-15N] | 0.5 mM | |
2 | H2O | natural abundance | 10 % | |
3 | D2O | natural abundance | 90 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_18459_4ar0.nef |
Input source #2: Coordindates | 4ar0.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
---320-------330-------340-------350-------360-------370-------380-------390-------400-------410---- MKHHHHHHPMSDYDIPTTENLYFEGAMGFTGRKISLDFQDVEIRTILQILAKESGMNIVASDSVNGKMTLSLKDVPWDQALDLVMQARNLDMRQQGNIVN |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MKHHHHHHPMSDYDIPTTENLYFEGAMGFTGRKISLDFQDVEIRTILQILAKESGMNIVASDSVNGKMTLSLKDVPWDQALDLVMQARNLDMRQQGNIVN --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 ---420-------430-------440-- IAPRDELLAKDKAFLQAEKDIADLGALY |||||||||||||||||||||||||||| IAPRDELLAKDKAFLQAEKDIADLGALY -------110-------120--------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 128 | 0 | 0 | 100.0 |
Content subtype: combined_18459_4ar0.nef
Assigned chemical shifts
---320-------330-------340-------350-------360-------370-------380-------390-------400-------410---- MKHHHHHHPMSDYDIPTTENLYFEGAMGFTGRKISLDFQDVEIRTILQILAKESGMNIVASDSVNGKMTLSLKDVPWDQALDLVMQARNLDMRQQGNIVN |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ........PMSDYDIPTTENLYFEGAMGFTGRKISLDFQDVEIRTILQILAKESGMNIVASDSVNGKMTLSLKDVPWDQALDLVMQARNLDMRQQGNIVN ---420-------430-------440-- IAPRDELLAKDKAFLQAEKDIADLGALY |||||||||||||||||||||||||||| IAPRDELLAKDKAFLQAEKDIADLGALY
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 777 | 711 | 91.5 |
13C chemical shifts | 581 | 518 | 89.2 |
15N chemical shifts | 143 | 133 | 93.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 259 | 243 | 93.8 |
13C chemical shifts | 256 | 226 | 88.3 |
15N chemical shifts | 124 | 116 | 93.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 518 | 468 | 90.3 |
13C chemical shifts | 325 | 292 | 89.8 |
15N chemical shifts | 19 | 17 | 89.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 81 | 79 | 97.5 |
13C chemical shifts | 81 | 79 | 97.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 50 | 33 | 66.0 |
13C chemical shifts | 49 | 32 | 65.3 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
---320-------330-------340-------350-------360-------370-------380-------390-------400-------410---- MKHHHHHHPMSDYDIPTTENLYFEGAMGFTGRKISLDFQDVEIRTILQILAKESGMNIVASDSVNGKMTLSLKDVPWDQALDLVMQARNLDMRQQGNIVN || |||||||||||| ||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| |||| .........MS.YDIPTTENLYFE.AMG.TGRKISLDFQDVEIRTILQILAKESGMNIVASDSVNGKMTLSLKDVPWDQALDLVMQARNLDMRQQ.NIVN ---320-------330-------340-------350-------360-------370-------380-------390-------400-------410---- ---420-------430-------440-- IAPRDELLAKDKAFLQAEKDIADLGALY ||||||||||||||||||||||||||| IAPRDELLAKDKAFLQAEKDIADLGAL ---420-------430-------440-
Dihedral angle restraints
---320-------330-------340-------350-------360-------370-------380-------390-------400-------410---- MKHHHHHHPMSDYDIPTTENLYFEGAMGFTGRKISLDFQDVEIRTILQILAKESGMNIVASDSVNGKMTLSLKDVPWDQALDLVMQARNLDMRQQGNIVN |||||||| |||||||||||||| ||| || ||||||| ||||||||||||||||||| |||| ..............................GRKISLDF...EIRTILQILAKESG.NIV..DS..GKMTLSL...PWDQALDLVMQARNLDMRQ..NIVN ---320-------330-------340-------350-------360-------370-------380-------390-------400-------410---- ---420-------430-------440-- IAPRDELLAKDKAFLQAEKDIADLGALY ||||||||||||| IAPRDELLAKDKA ---420-------