Solution NMR Structure of Nonsense mRNA reducing factor 3A from H. Sapiens, Northeast Structural Genomics Consortium Target HR4714B
MGHHHHHHSH MVVIRRLPPG LTKEQLEEQL RPLPAHDYFE FFAADLSLYP HLYSRAYINF RNPDDILLFR DRFDGYIFLD SKGLEYPAVV EFAPFQK
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 72.4 % (873 of 1205) | 78.7 % (494 of 628) | 62.5 % (302 of 483) | 81.9 % (77 of 94) |
Backbone | 68.9 % (390 of 566) | 81.6 % (155 of 190) | 56.8 % (163 of 287) | 80.9 % (72 of 89) |
Sidechain | 76.4 % (559 of 732) | 77.4 % (339 of 438) | 74.4 % (215 of 289) | 100.0 % (5 of 5) |
Aromatic | 52.3 % (91 of 174) | 51.7 % (45 of 87) | 52.9 % (46 of 87) | |
Methyl | 89.4 % (84 of 94) | 91.5 % (43 of 47) | 87.2 % (41 of 47) |
1. entity
MGHHHHHHSH MVVIRRLPPG LTKEQLEEQL RPLPAHDYFE FFAADLSLYP HLYSRAYINF RNPDDILLFR DRFDGYIFLD SKGLEYPAVV EFAPFQKSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR4714B | [U-100% 13C; U-100% 15N] | 0.82 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 100 mM | |
5 | DTT | natural abundance | 5 mM | |
6 | NaN3 | natural abundance | 0.02 % | |
7 | Tris-HCl | natural abundance | 10 mM |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | HR4714B | [U-10% 13C; U-99% 15N] | 0.9 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % | |
11 | NaCl | natural abundance | 100 mM | |
12 | DTT | natural abundance | 5 mM | |
13 | NaN3 | natural abundance | 0.02 % | |
14 | Tris-HCl | 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 | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR4714B | [U-100% 13C; U-100% 15N] | 0.82 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 100 mM | |
5 | DTT | natural abundance | 5 mM | |
6 | NaN3 | natural abundance | 0.02 % | |
7 | Tris-HCl | natural abundance | 10 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR4714B | [U-100% 13C; U-100% 15N] | 0.82 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 100 mM | |
5 | DTT | natural abundance | 5 mM | |
6 | NaN3 | natural abundance | 0.02 % | |
7 | Tris-HCl | natural abundance | 10 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR4714B | [U-100% 13C; U-100% 15N] | 0.82 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 100 mM | |
5 | DTT | natural abundance | 5 mM | |
6 | NaN3 | natural abundance | 0.02 % | |
7 | Tris-HCl | natural abundance | 10 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR4714B | [U-100% 13C; U-100% 15N] | 0.82 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 100 mM | |
5 | DTT | natural abundance | 5 mM | |
6 | NaN3 | natural abundance | 0.02 % | |
7 | Tris-HCl | natural abundance | 10 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | HR4714B | [U-10% 13C; U-99% 15N] | 0.9 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % | |
11 | NaCl | natural abundance | 100 mM | |
12 | DTT | natural abundance | 5 mM | |
13 | NaN3 | natural abundance | 0.02 % | |
14 | Tris-HCl | natural abundance | 10 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR4714B | [U-100% 13C; U-100% 15N] | 0.82 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 100 mM | |
5 | DTT | natural abundance | 5 mM | |
6 | NaN3 | natural abundance | 0.02 % | |
7 | Tris-HCl | natural abundance | 10 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR4714B | [U-100% 13C; U-100% 15N] | 0.82 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 100 mM | |
5 | DTT | natural abundance | 5 mM | |
6 | NaN3 | natural abundance | 0.02 % | |
7 | Tris-HCl | natural abundance | 10 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR4714B | [U-100% 13C; U-100% 15N] | 0.82 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 100 mM | |
5 | DTT | natural abundance | 5 mM | |
6 | NaN3 | natural abundance | 0.02 % | |
7 | Tris-HCl | natural abundance | 10 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR4714B | [U-100% 13C; U-100% 15N] | 0.82 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 100 mM | |
5 | DTT | natural abundance | 5 mM | |
6 | NaN3 | natural abundance | 0.02 % | |
7 | Tris-HCl | natural abundance | 10 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR4714B | [U-100% 13C; U-100% 15N] | 0.82 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 100 mM | |
5 | DTT | natural abundance | 5 mM | |
6 | NaN3 | natural abundance | 0.02 % | |
7 | Tris-HCl | natural abundance | 10 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR4714B | [U-100% 13C; U-100% 15N] | 0.82 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 100 mM | |
5 | DTT | natural abundance | 5 mM | |
6 | NaN3 | natural abundance | 0.02 % | |
7 | Tris-HCl | natural abundance | 10 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR4714B | [U-100% 13C; U-100% 15N] | 0.82 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 100 mM | |
5 | DTT | natural abundance | 5 mM | |
6 | NaN3 | natural abundance | 0.02 % | |
7 | Tris-HCl | natural abundance | 10 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | HR4714B | [U-10% 13C; U-99% 15N] | 0.9 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % | |
11 | NaCl | natural abundance | 100 mM | |
12 | DTT | natural abundance | 5 mM | |
13 | NaN3 | natural abundance | 0.02 % | |
14 | Tris-HCl | natural abundance | 10 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR4714B | [U-100% 13C; U-100% 15N] | 0.82 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 100 mM | |
5 | DTT | natural abundance | 5 mM | |
6 | NaN3 | natural abundance | 0.02 % | |
7 | Tris-HCl | natural abundance | 10 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HR4714B | [U-100% 13C; U-100% 15N] | 0.82 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | NaCl | natural abundance | 100 mM | |
5 | DTT | natural abundance | 5 mM | |
6 | NaN3 | natural abundance | 0.02 % | |
7 | Tris-HCl | natural abundance | 10 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_17033_2l08.nef |
Input source #2: Coordindates | 2l08.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------- MGHHHHHHSHMVVIRRLPPGLTKEQLEEQLRPLPAHDYFEFFAADLSLYPHLYSRAYINFRNPDDILLFRDRFDGYIFLDSKGLEYPAVVEFAPFQK ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MGHHHHHHSHMVVIRRLPPGLTKEQLEEQLRPLPAHDYFEFFAADLSLYPHLYSRAYINFRNPDDILLFRDRFDGYIFLDSKGLEYPAVVEFAPFQK
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 97 | 0 | 0 | 100.0 |
Content subtype: combined_17033_2l08.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90------- MGHHHHHHSHMVVIRRLPPGLTKEQLEEQLRPLPAHDYFEFFAADLSLYPHLYSRAYINFRNPDDILLFRDRFDGYIFLDSKGLEYPAVVEFAPFQK ||||||||| |||||||||||||||||||||||||| || ||||||||||||||||||||||||||||||||||||||||||||| ........SHMVVIRRL.PGLTKEQLEEQLRPLPAHDYFEFFAA.LS.....YSRAYINFRNPDDILLFRDRFDGYIFLDSKGLEYPAVVEFAPFQK
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 628 | 470 | 74.8 |
13C chemical shifts | 483 | 288 | 59.6 |
15N chemical shifts | 101 | 75 | 74.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 190 | 151 | 79.5 |
13C chemical shifts | 194 | 80 | 41.2 |
15N chemical shifts | 89 | 70 | 78.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 438 | 319 | 72.8 |
13C chemical shifts | 289 | 208 | 72.0 |
15N chemical shifts | 12 | 5 | 41.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 49 | 41 | 83.7 |
13C chemical shifts | 49 | 41 | 83.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 87 | 44 | 50.6 |
13C chemical shifts | 87 | 44 | 50.6 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90------- MGHHHHHHSHMVVIRRLPPGLTKEQLEEQLRPLPAHDYFEFFAADLSLYPHLYSRAYINFRNPDDILLFRDRFDGYIFLDSKGLEYPAVVEFAPFQK || |||||| |||||||||||||||||||||||||| | ||||||||||||||||||||||||||||||||||||||||||||| ........SH.VVIRRL.PGLTKEQLEEQLRPLPAHDYFEFFAA.L......YSRAYINFRNPDDILLFRDRFDGYIFLDSKGLEYPAVVEFAPFQK
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90------- MGHHHHHHSHMVVIRRLPPGLTKEQLEEQLRPLPAHDYFEFFAADLSLYPHLYSRAYINFRNPDDILLFRDRFDGYIFLDSKGLEYPAVVEFAPFQK |||||||||| ||||||||||||||| |||||||| |||||||||||||||||||||| ||||||||| |||||||||| ........SHMVVIRRLP.GLTKEQLEEQLRPLP.HDYFEFFA........LYSRAYINFRNPDDILLFRDRF.GYIFLDSKG.EYPAVVEFAP --------10--------20--------30--------40--------50--------60--------70--------80--------90----