NMR structure of pseudo receiver domain of CikA from Thermosynechococcus elongatus
EGRIVLVSED EATSTLICSI LTTAGYQVIW LVDGEVERLL ALTPIAVLLA EPFSYGDVQE LVDQLRQRCT PEQLKIFILG SKGNYQGVDR YIPLPIHPES FLQQVTMGLT SLATSAQ
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 89.8 % (1214 of 1352) | 88.9 % (617 of 694) | 90.7 % (486 of 536) | 91.0 % (111 of 122) |
Backbone | 98.3 % (678 of 690) | 98.3 % (232 of 236) | 98.0 % (336 of 343) | 99.1 % (110 of 111) |
Sidechain | 83.5 % (644 of 771) | 84.1 % (385 of 458) | 85.4 % (258 of 302) | 9.1 % (1 of 11) |
Aromatic | 2.6 % (2 of 78) | 2.6 % (1 of 39) | 0.0 % (0 of 38) | 100.0 % (1 of 1) |
Methyl | 97.7 % (172 of 176) | 97.7 % (86 of 88) | 97.7 % (86 of 88) |
1. Two-component sensor histidine kinase
EGRIVLVSED EATSTLICSI LTTAGYQVIW LVDGEVERLL ALTPIAVLLA EPFSYGDVQE LVDQLRQRCT PEQLKIFILG SKGNYQGVDR YIPLPIHPES FLQQVTMGLT SLATSAQSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1500 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | pseudo receiver domain of CikA | [U-99% 13C; U-99% 15N] | 1500 uM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Solvent system 99.96% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1500 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 99.96% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | pseudo receiver domain of CikA | [U-99% 13C; U-99% 15N] | 1500 uM | |
5 | H2O | natural abundance | 0.04 % | |
6 | D2O | natural abundance | 99.96 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 300 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | pseudo receiver domain of CikA | [U-99% 13C; U-99% 15N] | 300 uM | |
8 | H2O | natural abundance | 90 % | |
9 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 450 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
10 | pseudo receiver domain of CikA | [U-99% 13C; U-99% 15N] | 450 uM | |
11 | H2O | natural abundance | 90 % | |
12 | D2O | natural abundance | 10 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | DSS | methyl protons | 601.13 MHz | internal | indirect | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | DSS | methyl protons | 601.13 MHz | internal | indirect | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | DSS | methyl protons | 601.13 MHz | internal | indirect | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | DSS | methyl protons | 601.13 MHz | internal | indirect | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | DSS | methyl protons | 601.13 MHz | internal | indirect | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | DSS | methyl protons | 601.13 MHz | internal | indirect | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | DSS | methyl protons | 601.13 MHz | internal | indirect | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | DSS | methyl protons | 601.13 MHz | internal | indirect | 1.0 |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1500 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | pseudo receiver domain of CikA | [U-99% 13C; U-99% 15N] | 1500 uM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1500 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | pseudo receiver domain of CikA | [U-99% 13C; U-99% 15N] | 1500 uM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1500 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | pseudo receiver domain of CikA | [U-99% 13C; U-99% 15N] | 1500 uM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1500 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | pseudo receiver domain of CikA | [U-99% 13C; U-99% 15N] | 1500 uM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1500 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | pseudo receiver domain of CikA | [U-99% 13C; U-99% 15N] | 1500 uM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker AvanceIII - 600 MHz
State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 450 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
10 | pseudo receiver domain of CikA | [U-99% 13C; U-99% 15N] | 450 uM | |
11 | H2O | natural abundance | 90 % | |
12 | D2O | natural abundance | 10 % |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 300 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | pseudo receiver domain of CikA | [U-99% 13C; U-99% 15N] | 300 uM | |
8 | H2O | natural abundance | 90 % | |
9 | D2O | natural abundance | 10 % |
Bruker AvanceIII - 600 MHz
State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 450 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
10 | pseudo receiver domain of CikA | [U-99% 13C; U-99% 15N] | 450 uM | |
11 | H2O | natural abundance | 90 % | |
12 | D2O | natural abundance | 10 % |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 300 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | pseudo receiver domain of CikA | [U-99% 13C; U-99% 15N] | 300 uM | |
8 | H2O | natural abundance | 90 % | |
9 | D2O | natural abundance | 10 % |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 99.96% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1500 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 99.96% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | pseudo receiver domain of CikA | [U-99% 13C; U-99% 15N] | 1500 uM | |
5 | H2O | natural abundance | 0.04 % | |
6 | D2O | natural abundance | 99.96 % |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 99.96% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1500 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 99.96% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | pseudo receiver domain of CikA | [U-99% 13C; U-99% 15N] | 1500 uM | |
5 | H2O | natural abundance | 0.04 % | |
6 | D2O | natural abundance | 99.96 % |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1500 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | pseudo receiver domain of CikA | [U-99% 13C; U-99% 15N] | 1500 uM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1500 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | pseudo receiver domain of CikA | [U-99% 13C; U-99% 15N] | 1500 uM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1500 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | pseudo receiver domain of CikA | [U-99% 13C; U-99% 15N] | 1500 uM | |
2 | H2O | natural abundance | 95 % | |
3 | D2O | natural abundance | 5 % |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 99.96% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 1500 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 99.96% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | pseudo receiver domain of CikA | [U-99% 13C; U-99% 15N] | 1500 uM | |
5 | H2O | natural abundance | 0.04 % | |
6 | D2O | natural abundance | 99.96 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints | combined_30092_5jyu.nef |
Input source #2: Coordindates | 5jyu.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
-----620-------630-------640-------650-------660-------670-------680-------690-------700-------710-- EGRIVLVSEDEATSTLICSILTTAGYQVIWLVDGEVERLLALTPIAVLLAEPFSYGDVQELVDQLRQRCTPEQLKIFILGSKGNYQGVDRYIPLPIHPES |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| EGRIVLVSEDEATSTLICSILTTAGYQVIWLVDGEVERLLALTPIAVLLAEPFSYGDVQELVDQLRQRCTPEQLKIFILGSKGNYQGVDRYIPLPIHPES --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -----720--------- FLQQVTMGLTSLATSAQ ||||||||||||||||| FLQQVTMGLTSLATSAQ -------110-------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 117 | 0 | 0 | 100.0 |
Content subtype: combined_30092_5jyu.nef
Assigned chemical shifts
-----620-------630-------640-------650-------660-------670-------680-------690-------700-------710-- EGRIVLVSEDEATSTLICSILTTAGYQVIWLVDGEVERLLALTPIAVLLAEPFSYGDVQELVDQLRQRCTPEQLKIFILGSKGNYQGVDRYIPLPIHPES ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .GRIVLVSEDEATSTLICSILTTAGYQVIWLVDGEVERLLALTPIAVLLAEPFSYGDVQELVDQLRQRCTPEQLKIFILGSKGNYQGVDRYIPLPIHPES -----720--------- FLQQVTMGLTSLATSAQ ||||||||||||||||| FLQQVTMGLTSLATSAQ
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 694 | 623 | 89.8 |
13C chemical shifts | 536 | 488 | 91.0 |
15N chemical shifts | 127 | 110 | 86.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 236 | 233 | 98.7 |
13C chemical shifts | 234 | 230 | 98.3 |
15N chemical shifts | 111 | 109 | 98.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 458 | 390 | 85.2 |
13C chemical shifts | 302 | 258 | 85.4 |
15N chemical shifts | 16 | 1 | 6.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 89 | 88 | 98.9 |
13C chemical shifts | 89 | 86 | 96.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 39 | 1 | 2.6 |
13C chemical shifts | 38 | 0 | 0.0 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
-----620-------630-------640-------650-------660-------670-------680-------690-------700-------710-- EGRIVLVSEDEATSTLICSILTTAGYQVIWLVDGEVERLLALTPIAVLLAEPFSYGDVQELVDQLRQRCTPEQLKIFILGSKGNYQGVDRYIPLPIHPES ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .GRIVLVSEDEATSTLICSILTTAGYQVIWLVDGEVERLLALTPIAVLLAEPFSYGDVQELVDQLRQRCTPEQLKIFILGSKGNYQGVDRYIPLPIHPES -----720--------- FLQQVTMGLTSLATSAQ ||||||||||||||||| FLQQVTMGLTSLATSAQ
Dihedral angle restraints
-----620-------630-------640-------650-------660-------670-------680-------690-------700-------710-- EGRIVLVSEDEATSTLICSILTTAGYQVIWLVDGEVERLLALTPIAVLLAEPFSYGDVQELVDQLRQRCTPEQLKIFILGSKGNYQGVDRYIPLPIHPES ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ||||||||||||||| .GRIVLVSEDEATSTLICSILTTAGYQVIWLVDGEVERLLALTPIAVLLAEPFSYGDVQELVDQLRQRCTPEQLKIFILG.....QGVDRYIPLPIHPES -----620-------630-------640-------650-------660-------670-------680-------690-------700-------710-- -----720--------- FLQQVTMGLTSLATSAQ |||||||||| FLQQVTMGLT -----720--
RDC restraints
-----620-------630-------640-------650-------660-------670-------680-------690-------700-------710-- EGRIVLVSEDEATSTLICSILTTAGYQVIWLVDGEVERLLALTPIAVLLAEPFSYGDVQELVDQLRQRCTPEQLKIFILGSKGNYQGVDRYIPLPIHPES |||| ||||||||||||| ||||| |||| |||||||| |||||||| ||||| || ||| ...IVLV...EATSTLICSILTT....VIWLV...VERL....PIAVLLAE......VQELVDQL.........KIFIL.........DR.......PES -----620-------630-------640-------650-------660-------670-------680-------690-------700-------710-- -----720--------- FLQQVTMGLTSLATSAQ ||||||| FLQQVTM -------