A novel domain-swapped solution NMR structure of protein RPA2121 from Rhodopseudomonas palustris
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 93.9 % (694 of 739) | 94.3 % (361 of 383) | 93.7 % (268 of 286) | 92.9 % (65 of 70) |
Backbone | 95.2 % (379 of 398) | 97.1 % (133 of 137) | 93.9 % (184 of 196) | 95.4 % (62 of 65) |
Sidechain | 93.1 % (375 of 403) | 92.7 % (228 of 246) | 94.7 % (144 of 152) | 60.0 % (3 of 5) |
Aromatic | 81.8 % (18 of 22) | 100.0 % (11 of 11) | 63.6 % (7 of 11) | |
Methyl | 100.0 % (84 of 84) | 100.0 % (42 of 42) | 100.0 % (42 of 42) |
1. unknown function protein RPA2121
MMTASDRLGA DPTQAASSPG GARAVSIVGN QIDSRELFTV DREIVIAHGD DRYRLRLTSQ NKLILTKSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | unknown function protein RPA2121 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | benzamidine | natural abundance | 1 mM |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | unknown function protein RPA2121 | [U-7% 13C; U-99% 15N] | 0.5 mM | |
7 | TRIS | [U-100% 2H] | 10 mM | |
8 | sodium chloride | natural abundance | 300 mM | |
9 | sodium azide | natural abundance | 0.01 % | |
10 | benzamidine | natural abundance | 1 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 - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | unknown function protein RPA2121 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | benzamidine | natural abundance | 1 mM |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | unknown function protein RPA2121 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | benzamidine | natural abundance | 1 mM |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | unknown function protein RPA2121 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | benzamidine | natural abundance | 1 mM |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | unknown function protein RPA2121 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | benzamidine | natural abundance | 1 mM |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | unknown function protein RPA2121 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | benzamidine | natural abundance | 1 mM |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | unknown function protein RPA2121 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | benzamidine | natural abundance | 1 mM |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | unknown function protein RPA2121 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | benzamidine | natural abundance | 1 mM |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | unknown function protein RPA2121 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | benzamidine | natural abundance | 1 mM |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | unknown function protein RPA2121 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | benzamidine | natural abundance | 1 mM |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | unknown function protein RPA2121 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | benzamidine | natural abundance | 1 mM |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | unknown function protein RPA2121 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | benzamidine | natural abundance | 1 mM |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | unknown function protein RPA2121 | [U-7% 13C; U-99% 15N] | 0.5 mM | |
7 | TRIS | [U-100% 2H] | 10 mM | |
8 | sodium chloride | natural abundance | 300 mM | |
9 | sodium azide | natural abundance | 0.01 % | |
10 | benzamidine | natural abundance | 1 mM |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | unknown function protein RPA2121 | [U-7% 13C; U-99% 15N] | 0.5 mM | |
7 | TRIS | [U-100% 2H] | 10 mM | |
8 | sodium chloride | natural abundance | 300 mM | |
9 | sodium azide | natural abundance | 0.01 % | |
10 | benzamidine | natural abundance | 1 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints | combined_15324_2jra.nef |
Input source #2: Coordindates | 2jra.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------- MMTASDRLGADPTQAASSPGGARAVSIVGNQIDSRELFTVDREIVIAHGDDRYRLRLTSQNKLILTK ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MMTASDRLGADPTQAASSPGGARAVSIVGNQIDSRELFTVDREIVIAHGDDRYRLRLTSQNKLILTK
--------10--------20--------30--------40--------50--------60------- MMTASDRLGADPTQAASSPGGARAVSIVGNQIDSRELFTVDREIVIAHGDDRYRLRLTSQNKLILTK ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MMTASDRLGADPTQAASSPGGARAVSIVGNQIDSRELFTVDREIVIAHGDDRYRLRLTSQNKLILTK
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 67 | 0 | 0 | 100.0 |
B | B | 67 | 0 | 0 | 100.0 |
Content subtype: combined_15324_2jra.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60------- MMTASDRLGADPTQAASSPGGARAVSIVGNQIDSRELFTVDREIVIAHGDDRYRLRLTSQNKLILTK |||||||||||||||||||||||||||||||||||||||||||||||||||||||||| |||||||| MMTASDRLGADPTQAASSPGGARAVSIVGNQIDSRELFTVDREIVIAHGDDRYRLRLT.QNKLILTK
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 383 | 360 | 94.0 |
13C chemical shifts | 286 | 267 | 93.4 |
15N chemical shifts | 77 | 64 | 83.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 137 | 132 | 96.4 |
13C chemical shifts | 134 | 123 | 91.8 |
15N chemical shifts | 65 | 61 | 93.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 246 | 228 | 92.7 |
13C chemical shifts | 152 | 144 | 94.7 |
15N chemical shifts | 12 | 3 | 25.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 44 | 43 | 97.7 |
13C chemical shifts | 44 | 43 | 97.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 11 | 11 | 100.0 |
13C chemical shifts | 11 | 7 | 63.6 |
Distance restraints
--------10--------20--------30--------40--------50--------60------- MMTASDRLGADPTQAASSPGGARAVSIVGNQIDSRELFTVDREIVIAHGDDRYRLRLTSQNKLILTK |||||| |||||||||| |||||||||||||||||||||||||||||||||||||| |||||||| ..TASDRL.ADPTQAASSP.GARAVSIVGNQIDSRELFTVDREIVIAHGDDRYRLRLT.QNKLILTK
--------10--------20--------30--------40--------50--------60------- MMTASDRLGADPTQAASSPGGARAVSIVGNQIDSRELFTVDREIVIAHGDDRYRLRLTSQNKLILTK |||||| |||||||||| |||||||||||||||||||||||||||||||||||||| |||||||| ..TASDRL.ADPTQAASSP.GARAVSIVGNQIDSRELFTVDREIVIAHGDDRYRLRLT.QNKLILTK
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60------- MMTASDRLGADPTQAASSPGGARAVSIVGNQIDSRELFTVDREIVIAHGDDRYRLRLTSQNKLILTK ||||||||||||||||||| |||||||| ||||||||| ||||||| ....................GARAVSIVGNQIDSRELFT..REIVIAHG.DRYRLRLTS.NKLILTK
--------10--------20--------30--------40--------50--------60------- MMTASDRLGADPTQAASSPGGARAVSIVGNQIDSRELFTVDREIVIAHGDDRYRLRLTSQNKLILTK ||||||||||||||||||| |||||||| ||||||||| ||||||| ....................GARAVSIVGNQIDSRELFT..REIVIAHG.DRYRLRLTS.NKLILTK
RDC restraints
--------10--------20--------30--------40--------50--------60------- MMTASDRLGADPTQAASSPGGARAVSIVGNQIDSRELFTVDREIVIAHGDDRYRLRLTSQNKLILTK |||||||| || ||||| ||||||||| |||||||| |||||| .....................ARAVSIVG.QI.SRELF..DREIVIAHG.DRYRLRLT..NKLILT --------10--------20--------30--------40--------50--------60------
--------10--------20--------30--------40--------50--------60------- MMTASDRLGADPTQAASSPGGARAVSIVGNQIDSRELFTVDREIVIAHGDDRYRLRLTSQNKLILTK |||||||| || ||||| ||||||||| |||||||| |||||| .....................ARAVSIVG.QI.SRELF..DREIVIAHG.DRYRLRLT..NKLILT --------10--------20--------30--------40--------50--------60------