truncated AcrA from Campylobacter jejuni for glycosylation studies
DVIIKPQVSG VIVNKLFKAG DKVKKGQTLF IIEQDQASKD FNRSKALFSQ SAISQKEYDS SLATLDHTEI KAPFDGTIGD ALVNIGDYVS ASTTELVRVT NLNPIYADGS HHHHHH
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 79.9 % (1061 of 1328) | 87.7 % (599 of 683) | 66.4 % (346 of 521) | 93.5 % (116 of 124) |
Backbone | 79.4 % (548 of 690) | 92.4 % (218 of 236) | 66.0 % (225 of 341) | 92.9 % (105 of 113) |
Sidechain | 81.9 % (612 of 747) | 85.2 % (381 of 447) | 76.1 % (220 of 289) | 100.0 % (11 of 11) |
Aromatic | 36.3 % (37 of 102) | 64.7 % (33 of 51) | 7.8 % (4 of 51) | |
Methyl | 95.7 % (134 of 140) | 95.7 % (67 of 70) | 95.7 % (67 of 70) |
1. AcrA(61-210DD)
DVIIKPQVSG VIVNKLFKAG DKVKKGQTLF IIEQDQASKD FNRSKALFSQ SAISQKEYDS SLATLDHTEI KAPFDGTIGD ALVNIGDYVS ASTTELVRVT NLNPIYADGS HHHHHHSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.4, Details 15N sample H2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | AcrA(61-210DD) | [U-100% 15N] | 1 mM | |
2 | potassium phosphate | natural abundance | 50 mM |
Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.4, Details 13C/15N sample
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | AcrA(61-210DD) | [U-100% 13C; U-100% 15N] | 1 mM | |
4 | potassium phosphate | natural abundance | 50 mM |
Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6.4, Details 15N sample
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | AcrA(61-210DD) | [U-100% 15N] | 1 mM | |
6 | potassium phosphate | natural abundance | 50 mM |
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 Avance - 900 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.4, Details 13C/15N sample
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | AcrA(61-210DD) | [U-100% 13C; U-100% 15N] | 1 mM | |
4 | potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 900 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.4, Details 13C/15N sample
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | AcrA(61-210DD) | [U-100% 13C; U-100% 15N] | 1 mM | |
4 | potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 900 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.4, Details 15N sample H2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | AcrA(61-210DD) | [U-100% 15N] | 1 mM | |
2 | potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 900 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6.4, Details 15N sample
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | AcrA(61-210DD) | [U-100% 15N] | 1 mM | |
6 | potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 900 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.4, Details 13C/15N sample
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | AcrA(61-210DD) | [U-100% 13C; U-100% 15N] | 1 mM | |
4 | potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 900 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.4, Details 13C/15N sample
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | AcrA(61-210DD) | [U-100% 13C; U-100% 15N] | 1 mM | |
4 | potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 900 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.4, Details 13C/15N sample
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | AcrA(61-210DD) | [U-100% 13C; U-100% 15N] | 1 mM | |
4 | potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 900 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6.4, Details 15N sample
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | AcrA(61-210DD) | [U-100% 15N] | 1 mM | |
6 | potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 900 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.4, Details 13C/15N sample
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | AcrA(61-210DD) | [U-100% 13C; U-100% 15N] | 1 mM | |
4 | potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 900 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.4, Details 13C/15N sample
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | AcrA(61-210DD) | [U-100% 13C; U-100% 15N] | 1 mM | |
4 | potassium phosphate | natural abundance | 50 mM |
Bruker Avance - 900 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.4, Details 15N sample H2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | AcrA(61-210DD) | [U-100% 15N] | 1 mM | |
2 | potassium phosphate | natural abundance | 50 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_15735_2k32.nef |
Input source #2: Coordindates | 2k32.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 DVIIKPQVSGVIVNKLFKAGDKVKKGQTLFIIEQDQASKDFNRSKALFSQSAISQKEYDSSLATLDHTEIKAPFDGTIGDALVNIGDYVSASTTELVRVT |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| DVIIKPQVSGVIVNKLFKAGDKVKKGQTLFIIEQDQASKDFNRSKALFSQSAISQKEYDSSLATLDHTEIKAPFDGTIGDALVNIGDYVSASTTELVRVT -------110------ NLNPIYADGSHHHHHH |||||||||||||||| NLNPIYADGSHHHHHH
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 116 | 0 | 0 | 100.0 |
Content subtype: combined_15735_2k32.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 DVIIKPQVSGVIVNKLFKAGDKVKKGQTLFIIEQDQASKDFNRSKALFSQSAISQKEYDSSLATLDHTEIKAPFDGTIGDALVNIGDYVSASTTELVRVT |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| DVIIKPQVSGVIVNKLFKAGDKVKKGQTLFIIEQDQASKDFNRSKALFSQSAISQKEYDSSLATLDHTEIKAPFDGTIGDALVNIGDYVSASTTELVRVT --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110------ NLNPIYADGSHHHHHH |||||||||||| NLNPIYADGSHH -------110--
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 521 | 332 | 63.7 |
1H chemical shifts | 683 | 614 | 89.9 |
15N chemical shifts | 126 | 117 | 92.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 232 | 112 | 48.3 |
1H chemical shifts | 236 | 224 | 94.9 |
15N chemical shifts | 113 | 106 | 93.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 289 | 220 | 76.1 |
1H chemical shifts | 447 | 390 | 87.2 |
15N chemical shifts | 13 | 11 | 84.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 70 | 69 | 98.6 |
1H chemical shifts | 70 | 69 | 98.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 51 | 0 | 0.0 |
1H chemical shifts | 51 | 32 | 62.7 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 DVIIKPQVSGVIVNKLFKAGDKVKKGQTLFIIEQDQASKDFNRSKALFSQSAISQKEYDSSLATLDHTEIKAPFDGTIGDALVNIGDYVSASTTELVRVT ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .VIIKPQVSGVIVNKLFKAGDKVKKGQTLFIIEQDQASKDFNRSKALFSQSAISQKEYDSSLATLDHTEIKAPFDGTIGDALVNIGDYVSASTTELVRVT --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110------ NLNPIYADGSHHHHHH |||||||| NLNPIYAD --------
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 DVIIKPQVSGVIVNKLFKAGDKVKKGQTLFIIEQDQASKDFNRSKALFSQSAISQKEYDSSLATLDHTEIKAPFDGTIGDALVNIGDYVSASTTELVRVT |||||||||||||||||||||||||||||||||| ||||||||||| ||||||||||||||| ||||||| |||| ||||||||||||||||||| DVIIKPQVSGVIVNKLFKAGDKVKKGQTLFIIEQ.QASKDFNRSKA..SQSAISQKEYDSSLA..DHTEIKA...GTIG..LVNIGDYVSASTTELVRVT --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110------ NLNPIYADGSHHHHHH |||| NLNP ----