The solution structure of the protein coded by gene RHOS4_12090 of R. sphaeroides. Northeast structural genomics target RhR5
MYLKRVDGPR QVTLPDGTVL SRADLPPLDT RRWVASRKAA VVKAVIHGLI TEREALDRYS LSEEEFALWR SAVAAHGEKA LKVTMIQKYR QLHHH
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 93.2 % (1045 of 1121) | 92.1 % (537 of 583) | 94.1 % (416 of 442) | 95.8 % (92 of 96) |
Backbone | 95.6 % (537 of 562) | 93.2 % (177 of 190) | 97.2 % (273 of 281) | 95.6 % (87 of 91) |
Sidechain | 91.8 % (597 of 650) | 91.6 % (360 of 393) | 92.1 % (232 of 252) | 100.0 % (5 of 5) |
Aromatic | 82.1 % (64 of 78) | 84.6 % (33 of 39) | 78.4 % (29 of 37) | 100.0 % (2 of 2) |
Methyl | 98.4 % (122 of 124) | 98.4 % (61 of 62) | 98.4 % (61 of 62) |
1. RhR5
MYLKRVDGPR QVTLPDGTVL SRADLPPLDT RRWVASRKAA VVKAVIHGLI TEREALDRYS LSEEEFALWR SAVAAHGEKA LKVTMIQKYR QLHHHSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293.0 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RhR5 | [U-5% 13C; U-100% 15N] | 1.0 mM | |
2 | DTT | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 100 mM |
Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293.0 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | RhR5 | [U-100% 13C; U-100% 15N] | 1.0 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | sodium chloride | natural abundance | 100 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 |
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 |
Varian INOVA - 600 MHz cryo-probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293.0 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RhR5 | [U-5% 13C; U-100% 15N] | 1.0 mM | |
2 | DTT | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 100 mM |
Varian INOVA - 600 MHz cryo-probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293.0 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RhR5 | [U-5% 13C; U-100% 15N] | 1.0 mM | |
2 | DTT | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 100 mM |
Varian INOVA - 600 MHz cryo-probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293.0 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | RhR5 | [U-100% 13C; U-100% 15N] | 1.0 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | sodium chloride | natural abundance | 100 mM |
Varian INOVA - 600 MHz cryo-probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293.0 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | RhR5 | [U-100% 13C; U-100% 15N] | 1.0 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | sodium chloride | natural abundance | 100 mM |
Varian INOVA - 600 MHz cryo-probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293.0 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | RhR5 | [U-100% 13C; U-100% 15N] | 1.0 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | sodium chloride | natural abundance | 100 mM |
Varian INOVA - 600 MHz cryo-probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293.0 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | RhR5 | [U-100% 13C; U-100% 15N] | 1.0 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | sodium chloride | natural abundance | 100 mM |
Varian INOVA - 600 MHz cryo-probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293.0 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | RhR5 | [U-100% 13C; U-100% 15N] | 1.0 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | sodium chloride | natural abundance | 100 mM |
Varian INOVA - 600 MHz cryo-probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293.0 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | RhR5 | [U-100% 13C; U-100% 15N] | 1.0 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | sodium chloride | natural abundance | 100 mM |
Varian INOVA - 600 MHz cryo-probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293.0 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | RhR5 | [U-100% 13C; U-100% 15N] | 1.0 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | sodium chloride | natural abundance | 100 mM |
Varian INOVA - 600 MHz cryo-probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293.0 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | RhR5 | [U-100% 13C; U-100% 15N] | 1.0 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | sodium chloride | natural abundance | 100 mM |
Varian INOVA - 600 MHz cryo-probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293.0 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | RhR5 | [U-100% 13C; U-100% 15N] | 1.0 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | sodium chloride | natural abundance | 100 mM |
Varian INOVA - 600 MHz cryo-probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293.0 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RhR5 | [U-5% 13C; U-100% 15N] | 1.0 mM | |
2 | DTT | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 100 mM |
Varian INOVA - 600 MHz cryo-probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293.0 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | RhR5 | [U-100% 13C; U-100% 15N] | 1.0 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | sodium chloride | natural abundance | 100 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_15344_2jrt.nef |
Input source #2: Coordindates | 2jrt.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----- MYLKRVDGPRQVTLPDGTVLSRADLPPLDTRRWVASRKAAVVKAVIHGLITEREALDRYSLSEEEFALWRSAVAAHGEKALKVTMIQKYRQLHHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MYLKRVDGPRQVTLPDGTVLSRADLPPLDTRRWVASRKAAVVKAVIHGLITEREALDRYSLSEEEFALWRSAVAAHGEKALKVTMIQKYRQLHHH
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 95 | 0 | 0 | 100.0 |
Content subtype: combined_15344_2jrt.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90----- MYLKRVDGPRQVTLPDGTVLSRADLPPLDTRRWVASRKAAVVKAVIHGLITEREALDRYSLSEEEFALWRSAVAAHGEKALKVTMIQKYRQLHHH |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .YLKRVDGPRQVTLPDGTVLSRADLPPLDTRRWVASRKAAVVKAVIHGLITEREALDRYSLSEEEFALWRSAVAAHGEKALKVTMIQKYRQLHHH
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
51 | THR | HG1 | 5.644 |
53 | ARG | CZ | 177.698 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 583 | 547 | 93.8 |
13C chemical shifts | 442 | 414 | 93.7 |
15N chemical shifts | 106 | 97 | 91.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 190 | 184 | 96.8 |
13C chemical shifts | 190 | 183 | 96.3 |
15N chemical shifts | 91 | 87 | 95.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 393 | 363 | 92.4 |
13C chemical shifts | 252 | 231 | 91.7 |
15N chemical shifts | 15 | 10 | 66.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 64 | 62 | 96.9 |
13C chemical shifts | 64 | 61 | 95.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 39 | 32 | 82.1 |
13C chemical shifts | 37 | 28 | 75.7 |
15N chemical shifts | 2 | 2 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90----- MYLKRVDGPRQVTLPDGTVLSRADLPPLDTRRWVASRKAAVVKAVIHGLITEREALDRYSLSEEEFALWRSAVAAHGEKALKVTMIQKYRQLHHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .YLKRVDGPRQVTLPDGTVLSRADLPPLDTRRWVASRKAAVVKAVIHGLITEREALDRYSLSEEEFALWRSAVAAHGEKALKVTMIQKYRQLHH --------10--------20--------30--------40--------50--------60--------70--------80--------90----
--------10--------20--------30--------40--------50--------60--------70--------80--------90----- MYLKRVDGPRQVTLPDGTVLSRADLPPLDTRRWVASRKAAVVKAVIHGLITEREALDRYSLSEEEFALWRSAVAAHGEKALKVTMIQKYRQLHHH | | | || ||| | | ||||||||||||||| ||||||||| || |||||||||| || || .........R.V.L..GT.LSR.D......R.WVASRKAAVVKAVIH..ITEREALDR..LS..EFALWRSAVA...........IQ..RQ --------10--------20--------30--------40--------50--------60--------70--------80--------90-