Mrx1 reduced
MVTAALTIYT TSWCGYCLRL KTALTANRIA YDEVDIEHNR AAAEFVGSVN GGNRTVPTVK FADGSTLTNP SADEVKAKLV KIAGLEHHHH HH
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 93.0 % (941 of 1012) | 92.4 % (473 of 512) | 92.8 % (375 of 404) | 96.9 % (93 of 96) |
Backbone | 96.0 % (526 of 548) | 95.2 % (179 of 188) | 96.3 % (260 of 270) | 96.7 % (87 of 90) |
Sidechain | 90.5 % (498 of 550) | 90.7 % (294 of 324) | 90.0 % (198 of 220) | 100.0 % (6 of 6) |
Aromatic | 67.9 % (57 of 84) | 69.0 % (29 of 42) | 65.9 % (27 of 41) | 100.0 % (1 of 1) |
Methyl | 98.3 % (118 of 120) | 100.0 % (60 of 60) | 96.7 % (58 of 60) |
1. reduced Mrx1
MVTAALTIYT TSWCGYCLRL KTALTANRIA YDEVDIEHNR AAAEFVGSVN GGNRTVPTVK FADGSTLTNP SADEVKAKLV KIAGLEHHHH HHSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | reduced_Mrx1 | [U-99% 13C; U-99% 15N] | 0.8 ~ 1.0 mM | |
2 | H2O | natural abundance | 90 mM | |
3 | D2O | natural abundance | 10 mM |
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 |
Varian Varian NMR Systems - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | reduced_Mrx1 | [U-99% 13C; U-99% 15N] | 0.8 ~ 1.0 mM | |
2 | H2O | natural abundance | 90 mM | |
3 | D2O | natural abundance | 10 mM |
Varian Varian NMR Systems - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | reduced_Mrx1 | [U-99% 13C; U-99% 15N] | 0.8 ~ 1.0 mM | |
2 | H2O | natural abundance | 90 mM | |
3 | D2O | natural abundance | 10 mM |
Varian Varian NMR Systems - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | reduced_Mrx1 | [U-99% 13C; U-99% 15N] | 0.8 ~ 1.0 mM | |
2 | H2O | natural abundance | 90 mM | |
3 | D2O | natural abundance | 10 mM |
Varian Varian NMR Systems - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | reduced_Mrx1 | [U-99% 13C; U-99% 15N] | 0.8 ~ 1.0 mM | |
2 | H2O | natural abundance | 90 mM | |
3 | D2O | natural abundance | 10 mM |
Varian Varian NMR Systems - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | reduced_Mrx1 | [U-99% 13C; U-99% 15N] | 0.8 ~ 1.0 mM | |
2 | H2O | natural abundance | 90 mM | |
3 | D2O | natural abundance | 10 mM |
Varian Varian NMR Systems - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | reduced_Mrx1 | [U-99% 13C; U-99% 15N] | 0.8 ~ 1.0 mM | |
2 | H2O | natural abundance | 90 mM | |
3 | D2O | natural abundance | 10 mM |
Varian Varian NMR Systems - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | reduced_Mrx1 | [U-99% 13C; U-99% 15N] | 0.8 ~ 1.0 mM | |
2 | H2O | natural abundance | 90 mM | |
3 | D2O | natural abundance | 10 mM |
Varian Varian NMR Systems - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | reduced_Mrx1 | [U-99% 13C; U-99% 15N] | 0.8 ~ 1.0 mM | |
2 | H2O | natural abundance | 90 mM | |
3 | D2O | natural abundance | 10 mM |
Varian Varian NMR Systems - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | reduced_Mrx1 | [U-99% 13C; U-99% 15N] | 0.8 ~ 1.0 mM | |
2 | H2O | natural abundance | 90 mM | |
3 | D2O | natural abundance | 10 mM |
Varian Varian NMR Systems - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | reduced_Mrx1 | [U-99% 13C; U-99% 15N] | 0.8 ~ 1.0 mM | |
2 | H2O | natural abundance | 90 mM | |
3 | D2O | natural abundance | 10 mM |
Varian Varian NMR Systems - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | reduced_Mrx1 | [U-99% 13C; U-99% 15N] | 0.8 ~ 1.0 mM | |
2 | H2O | natural abundance | 90 mM | |
3 | D2O | natural abundance | 10 mM |
Varian Varian NMR Systems - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | reduced_Mrx1 | [U-99% 13C; U-99% 15N] | 0.8 ~ 1.0 mM | |
2 | H2O | natural abundance | 90 mM | |
3 | D2O | natural abundance | 10 mM |
Varian Varian NMR Systems - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | reduced_Mrx1 | [U-99% 13C; U-99% 15N] | 0.8 ~ 1.0 mM | |
2 | H2O | natural abundance | 90 mM | |
3 | D2O | natural abundance | 10 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_18322_2lqo.nef |
Input source #2: Coordindates | 2lqo.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-- MVTAALTIYTTSWCGYCLRLKTALTANRIAYDEVDIEHNRAAAEFVGSVNGGNRTVPTVKFADGSTLTNPSADEVKAKLVKIAGLEHHHHHH |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MVTAALTIYTTSWCGYCLRLKTALTANRIAYDEVDIEHNRAAAEFVGSVNGGNRTVPTVKFADGSTLTNPSADEVKAKLVKIAGLEHHHHHH
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 92 | 0 | 0 | 100.0 |
Content subtype: combined_18322_2lqo.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-- MVTAALTIYTTSWCGYCLRLKTALTANRIAYDEVDIEHNRAAAEFVGSVNGGNRTVPTVKFADGSTLTNPSADEVKAKLVKIAGLEHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .VTAALTIYTTSWCGYCLRLKTALTANRIAYDEVDIEHNRAAAEFVGSVNGGNRTVPTVKFADGSTLTNPSADEVKAKLVKIAGLEHH --------10--------20--------30--------40--------50--------60--------70--------80--------
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 512 | 467 | 91.2 |
13C chemical shifts | 404 | 370 | 91.6 |
15N chemical shifts | 100 | 90 | 90.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 188 | 176 | 93.6 |
13C chemical shifts | 184 | 174 | 94.6 |
15N chemical shifts | 90 | 84 | 93.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 324 | 291 | 89.8 |
13C chemical shifts | 220 | 196 | 89.1 |
15N chemical shifts | 10 | 6 | 60.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 61 | 60 | 98.4 |
13C chemical shifts | 61 | 58 | 95.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 42 | 28 | 66.7 |
13C chemical shifts | 41 | 27 | 65.9 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-- MVTAALTIYTTSWCGYCLRLKTALTANRIAYDEVDIEHNRAAAEFVGSVNGGNRTVPTVKFADGSTLTNPSADEVKAKLVKIAGLEHHHHHH |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .VTAALTIYTTSWCGYCLRLKTALTANRIAYDEVDIEHNRAAAEFVGSVNGGNRTVPTVKFADGSTLTNPSADEVKAKLVKIAGLEH --------10--------20--------30--------40--------50--------60--------70--------80-------
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-- MVTAALTIYTTSWCGYCLRLKTALTANRIAYDEVDIEHNRAAAEFVGSVNGGNRTVPTVKFADGSTLTNPSADEVKAKLVKIAGLEHHHHHH |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..TAALTIYTTSWCGYCLRLKTALTANRIAYDEVDIEHNRAAAEFVGSVNGGNRTVPTVKFADGSTLTNPSADEVKAKLVKIAG --------10--------20--------30--------40--------50--------60--------70--------80----