TBK1 recruitment to cytosol-invading Salmonella induces anti-bacterial autophagy
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 78.1 % (554 of 709) | 88.7 % (331 of 373) | 63.0 % (174 of 276) | 81.7 % (49 of 60) |
Backbone | 88.8 % (309 of 348) | 88.7 % (102 of 115) | 88.8 % (159 of 179) | 88.9 % (48 of 54) |
Sidechain | 71.0 % (298 of 420) | 88.8 % (229 of 258) | 43.6 % (68 of 156) | 16.7 % (1 of 6) |
Aromatic | 48.1 % (25 of 52) | 96.2 % (25 of 26) | 0.0 % (0 of 26) | |
Methyl | 67.3 % (35 of 52) | 84.6 % (22 of 26) | 50.0 % (13 of 26) |
1. CALCIUM-BINDING AND COILED-COIL DOMAIN-CONTAINING 2
GSPSPLSIKK CPICKADDIC DHTLEQQQMQ PLCFNCPICD KIFPATEKQI FEDHVFCHSLSolvent system 95% water/5% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.500, Details 1.5 mmol/l
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CALCIUM-BINDING AND COILED-COIL DOMAIN-CONTAINING 2 | [U-13C; U-15N] | 1.5 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 1.0 |
1H | DSS | methyl protons | 0.0 ppm | external | indirect | 1.0 |
15N | Liquid NH3 | NH3 | 0.0 ppm | external | indirect | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 1.0 |
1H | DSS | methyl protons | 0.0 ppm | external | indirect | 1.0 |
15N | Liquid NH3 | NH3 | 0.0 ppm | external | indirect | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 1.0 |
1H | DSS | methyl protons | 0.0 ppm | external | indirect | 1.0 |
15N | Liquid NH3 | NH3 | 0.0 ppm | external | indirect | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 1.0 |
1H | DSS | methyl protons | 0.0 ppm | external | indirect | 1.0 |
15N | Liquid NH3 | NH3 | 0.0 ppm | external | indirect | 1.0 |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% water/5% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.500, Details 1.5 mmol/l
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CALCIUM-BINDING AND COILED-COIL DOMAIN-CONTAINING 2 | [U-13C; U-15N] | 1.5 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% water/5% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.500, Details 1.5 mmol/l
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CALCIUM-BINDING AND COILED-COIL DOMAIN-CONTAINING 2 | [U-13C; U-15N] | 1.5 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% water/5% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.500, Details 1.5 mmol/l
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CALCIUM-BINDING AND COILED-COIL DOMAIN-CONTAINING 2 | [U-13C; U-15N] | 1.5 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% water/5% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.500, Details 1.5 mmol/l
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CALCIUM-BINDING AND COILED-COIL DOMAIN-CONTAINING 2 | [U-13C; U-15N] | 1.5 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% water/5% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.500, Details 1.5 mmol/l
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CALCIUM-BINDING AND COILED-COIL DOMAIN-CONTAINING 2 | [U-13C; U-15N] | 1.5 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% water/5% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.500, Details 1.5 mmol/l
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CALCIUM-BINDING AND COILED-COIL DOMAIN-CONTAINING 2 | [U-13C; U-15N] | 1.5 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% water/5% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.500, Details 1.5 mmol/l
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CALCIUM-BINDING AND COILED-COIL DOMAIN-CONTAINING 2 | [U-13C; U-15N] | 1.5 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% water/5% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.500, Details 1.5 mmol/l
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CALCIUM-BINDING AND COILED-COIL DOMAIN-CONTAINING 2 | [U-13C; U-15N] | 1.5 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% water/5% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.500, Details 1.5 mmol/l
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CALCIUM-BINDING AND COILED-COIL DOMAIN-CONTAINING 2 | [U-13C; U-15N] | 1.5 mM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_25734_5aaq.nef |
Input source #2: Coordindates | 5aaq.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 | True (see coodinates for details) |
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)
Ptnr_site_1 | Ptnr_site_2 | Redox_state_prediction_1 | Redox_state_prediction_2 | Distance (Å) |
---|---|---|---|---|
2:1:ZN:ZN | 1:58:HIS:NE2 | unknown | unknown | n/a |
2:1:ZN:ZN | 1:39:CYS:SG | unknown | unknown | n/a |
2:1:ZN:ZN | 1:54:HIS:NE2 | unknown | unknown | n/a |
2:1:ZN:ZN | 1:36:CYS:SG | unknown | unknown | n/a |
Non-standard residues
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
B | 1 | ZN | ZINC ION | None |
Sequence alignments
---390-----400-------410-------420-------430-------440------ GSPSPLSIKKCPICKADDICDHTLEQQQMQPLCFNCPICDKIFPATEKQIFEDHVFCHSL |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSPSPLSIKKCPICKADDICDHTLEQQQMQPLCFNCPICDKIFPATEKQIFEDHVFCHSL --------10--------20--------30--------40--------50--------60
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 60 | 0 | 0 | 100.0 |
Content subtype: combined_25734_5aaq.nef
Assigned chemical shifts
---390-----400-------410-------420-------430-------440------ GSPSPLSIKKCPICKADDICDHTLEQQQMQPLCFNCPICDKIFPATEKQIFEDHVFCHSL |||||||||||||||| |||||||||||||||||||||||||||||||||||||||| ...SPLSIKKCPICKADDI.DHTLEQQQMQPLCFNCPICDKIFPATEKQIFEDHVFCHSL
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 373 | 344 | 92.2 |
13C chemical shifts | 276 | 174 | 63.0 |
15N chemical shifts | 60 | 49 | 81.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 115 | 105 | 91.3 |
13C chemical shifts | 120 | 108 | 90.0 |
15N chemical shifts | 54 | 48 | 88.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 258 | 239 | 92.6 |
13C chemical shifts | 156 | 66 | 42.3 |
15N chemical shifts | 6 | 1 | 16.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 27 | 27 | 100.0 |
13C chemical shifts | 27 | 14 | 51.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 26 | 25 | 96.2 |
13C chemical shifts | 26 | 0 | 0.0 |
Covalent bonds
Distance restraints
---390-----400-------410-------420-------430-------440------ GSPSPLSIKKCPICKADDICDHTLEQQQMQPLCFNCPICDKIFPATEKQIFEDHVFCHSL |||||||||||||||| |||||||||||||||||||||||||||||||||||||||| ...SPLSIKKCPICKADDI.DHTLEQQQMQPLCFNCPICDKIFPATEKQIFEDHVFCHSL
Dihedral angle restraints
---390-----400-------410-------420-------430-------440------ GSPSPLSIKKCPICKADDICDHTLEQQQMQPLCFNCPICDKIFPATEKQIFEDHVFCHSL |||||||||| ||||||||| ||||||||||||||||||||||||||||||| ........KKCPICKADD.CDHTLEQQQ.QPLCFNCPICDKIFPATEKQIFEDHVFCHSL