The solution NMR structure of the NLRC5 caspase recruitment domain (CARD)
GPLGSMDAES IRLNNENLWA WLVRLLSKNP EWLSAKLRSF LPTMDLDCSY EPSNPEVIHR QLNRLFAQGM ATWKSFINDL CFELDVPLDM EIPLVSIWGP R
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 84.0 % (1027 of 1222) | 80.7 % (515 of 638) | 86.6 % (413 of 477) | 92.5 % (99 of 107) |
Backbone | 86.8 % (512 of 590) | 79.8 % (158 of 198) | 89.3 % (267 of 299) | 93.5 % (87 of 93) |
Sidechain | 82.7 % (603 of 729) | 81.1 % (357 of 440) | 85.1 % (234 of 275) | 85.7 % (12 of 14) |
Aromatic | 70.5 % (79 of 112) | 71.4 % (40 of 56) | 66.7 % (34 of 51) | 100.0 % (5 of 5) |
Methyl | 82.5 % (94 of 114) | 78.9 % (45 of 57) | 86.0 % (49 of 57) |
1. entity
GPLGSMDAES IRLNNENLWA WLVRLLSKNP EWLSAKLRSF LPTMDLDCSY EPSNPEVIHR QLNRLFAQGM ATWKSFINDL CFELDVPLDM EIPLVSIWGP RSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NLRC5_CARD | [U-100% 13C; U-100% 15N] | 600 uM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | potassium chloride | natural abundance | 50 mM | |
5 | TCEP | natural abundance | 2 mM | |
6 | H2O | natural abundance | 95 % | |
7 | D2O | [U-100% 2H] | 5 % |
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 - 700 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NLRC5_CARD | [U-100% 13C; U-100% 15N] | 600 uM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | potassium chloride | natural abundance | 50 mM | |
5 | TCEP | natural abundance | 2 mM | |
6 | H2O | natural abundance | 95 % | |
7 | D2O | [U-100% 2H] | 5 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NLRC5_CARD | [U-100% 13C; U-100% 15N] | 600 uM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | potassium chloride | natural abundance | 50 mM | |
5 | TCEP | natural abundance | 2 mM | |
6 | H2O | natural abundance | 95 % | |
7 | D2O | [U-100% 2H] | 5 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NLRC5_CARD | [U-100% 13C; U-100% 15N] | 600 uM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | potassium chloride | natural abundance | 50 mM | |
5 | TCEP | natural abundance | 2 mM | |
6 | H2O | natural abundance | 95 % | |
7 | D2O | [U-100% 2H] | 5 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NLRC5_CARD | [U-100% 13C; U-100% 15N] | 600 uM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | potassium chloride | natural abundance | 50 mM | |
5 | TCEP | natural abundance | 2 mM | |
6 | H2O | natural abundance | 95 % | |
7 | D2O | [U-100% 2H] | 5 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NLRC5_CARD | [U-100% 13C; U-100% 15N] | 600 uM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | potassium chloride | natural abundance | 50 mM | |
5 | TCEP | natural abundance | 2 mM | |
6 | H2O | natural abundance | 95 % | |
7 | D2O | [U-100% 2H] | 5 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NLRC5_CARD | [U-100% 13C; U-100% 15N] | 600 uM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | potassium chloride | natural abundance | 50 mM | |
5 | TCEP | natural abundance | 2 mM | |
6 | H2O | natural abundance | 95 % | |
7 | D2O | [U-100% 2H] | 5 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NLRC5_CARD | [U-100% 13C; U-100% 15N] | 600 uM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | potassium chloride | natural abundance | 50 mM | |
5 | TCEP | natural abundance | 2 mM | |
6 | H2O | natural abundance | 95 % | |
7 | D2O | [U-100% 2H] | 5 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NLRC5_CARD | [U-100% 13C; U-100% 15N] | 600 uM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | potassium chloride | natural abundance | 50 mM | |
5 | TCEP | natural abundance | 2 mM | |
6 | H2O | natural abundance | 95 % | |
7 | D2O | [U-100% 2H] | 5 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NLRC5_CARD | [U-100% 13C; U-100% 15N] | 600 uM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | potassium chloride | natural abundance | 50 mM | |
5 | TCEP | natural abundance | 2 mM | |
6 | H2O | natural abundance | 95 % | |
7 | D2O | [U-100% 2H] | 5 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NLRC5_CARD | [U-100% 13C; U-100% 15N] | 600 uM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | potassium chloride | natural abundance | 50 mM | |
5 | TCEP | natural abundance | 2 mM | |
6 | H2O | natural abundance | 95 % | |
7 | D2O | [U-100% 2H] | 5 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_19732_2mjm.nef |
Input source #2: Coordindates | 2mjm.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 GPLGSMDAESIRLNNENLWAWLVRLLSKNPEWLSAKLRSFLPTMDLDCSYEPSNPEVIHRQLNRLFAQGMATWKSFINDLCFELDVPLDMEIPLVSIWGP |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GPLGSMDAESIRLNNENLWAWLVRLLSKNPEWLSAKLRSFLPTMDLDCSYEPSNPEVIHRQLNRLFAQGMATWKSFINDLCFELDVPLDMEIPLVSIWGP - R | R
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 101 | 0 | 0 | 100.0 |
Content subtype: combined_19732_2mjm.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GPLGSMDAESIRLNNENLWAWLVRLLSKNPEWLSAKLRSFLPTMDLDCSYEPSNPEVIHRQLNRLFAQGMATWKSFINDLCFELDVPLDMEIPLVSIWGP ||||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| || |||||||||| GPLGSMDAESIRL..ENLWAWLVRLLSKNPEWLSAKLRSFLPTMDLDCSYEPSNPEVIHRQLNRLFAQGMATWKSFINDLCFELD.PL..EIPLVSIWGP - R | R
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 638 | 576 | 90.3 |
13C chemical shifts | 477 | 429 | 89.9 |
15N chemical shifts | 113 | 99 | 87.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 198 | 187 | 94.4 |
13C chemical shifts | 202 | 190 | 94.1 |
15N chemical shifts | 93 | 87 | 93.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 440 | 389 | 88.4 |
13C chemical shifts | 275 | 239 | 86.9 |
15N chemical shifts | 20 | 12 | 60.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 61 | 49 | 80.3 |
13C chemical shifts | 61 | 47 | 77.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 56 | 44 | 78.6 |
13C chemical shifts | 51 | 35 | 68.6 |
15N chemical shifts | 5 | 5 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GPLGSMDAESIRLNNENLWAWLVRLLSKNPEWLSAKLRSFLPTMDLDCSYEPSNPEVIHRQLNRLFAQGMATWKSFINDLCFELDVPLDMEIPLVSIWGP ||||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| | |||||||||| GPLGSMDAESIRL..ENLWAWLVRLLSKNPEWLSAKLRSFLPTMDLDCSYEPSNPEVIHRQLNRLFAQGMATWKSFINDLCFELD..L..EIPLVSIWGP - R | R
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GPLGSMDAESIRLNNENLWAWLVRLLSKNPEWLSAKLRSFLPTMDLDCSYEPSNPEVIHRQLNRLFAQGMATWKSFINDLCFELDVPLDMEIPLVSIWGP |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GPLGSMDAESIRLNNENLWAWLVRLLSKNPEWLSAKLRSFLPTMDLDCSYEPSNPEVIHRQLNRLFAQGMATWKSFINDLCFELDVPLDMEIPLVSIWGP - R | R