NMR solution structure of ubl5 domain from polyubiquitin locus of T.thermophila.
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 95.0 % (956 of 1006) | 93.0 % (491 of 528) | 97.2 % (376 of 387) | 97.8 % (89 of 91) |
Backbone | 95.9 % (464 of 484) | 91.4 % (149 of 163) | 98.3 % (237 of 241) | 97.5 % (78 of 80) |
Sidechain | 94.8 % (570 of 601) | 93.7 % (342 of 365) | 96.4 % (217 of 225) | 100.0 % (11 of 11) |
Aromatic | 85.7 % (60 of 70) | 85.7 % (30 of 35) | 85.7 % (30 of 35) | |
Methyl | 96.6 % (85 of 88) | 97.7 % (43 of 44) | 95.5 % (42 of 44) |
1. entity 1
SHMQVSIEFQ NGEKLKFNVQ PSHKILDIKE MIFKKTNINV KDQSLKFAGN EMINQKTLSD YSIIDSTEEF TLHLETKLDL MSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 4 mM [U-13C; U-15N] T.thermophila BUBL1-ubl5, 20 mM sodium phosphate, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | T.thermophila BUBL1-ubl5 | [U-13C; U-15N] | 4 mM | |
2 | sodium phosphate | natural abundance | 20 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | TMS | methyl carbons | 0.0 ppm | na | indirect | 0.2514502 |
1H | water | protons | 4.64 ppm | internal | direct | 1.0 |
15N | liquid anhydrous ammonia | nitrogen | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | TMS | methyl carbons | 0.0 ppm | na | indirect | 0.2514502 |
1H | water | protons | 4.64 ppm | internal | direct | 1.0 |
15N | liquid anhydrous ammonia | nitrogen | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | TMS | methyl carbons | 0.0 ppm | na | indirect | 0.2514502 |
1H | water | protons | 4.64 ppm | internal | direct | 1.0 |
15N | liquid anhydrous ammonia | nitrogen | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | TMS | methyl carbons | 0.0 ppm | na | indirect | 0.2514502 |
1H | water | protons | 4.64 ppm | internal | direct | 1.0 |
15N | liquid anhydrous ammonia | nitrogen | 0.0 ppm | na | indirect | 0.1013291 |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 4 mM [U-13C; U-15N] T.thermophila BUBL1-ubl5, 20 mM sodium phosphate, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | T.thermophila BUBL1-ubl5 | [U-13C; U-15N] | 4 mM | |
2 | sodium phosphate | natural abundance | 20 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 4 mM [U-13C; U-15N] T.thermophila BUBL1-ubl5, 20 mM sodium phosphate, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | T.thermophila BUBL1-ubl5 | [U-13C; U-15N] | 4 mM | |
2 | sodium phosphate | natural abundance | 20 mM |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 4 mM [U-13C; U-15N] T.thermophila BUBL1-ubl5, 20 mM sodium phosphate, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | T.thermophila BUBL1-ubl5 | [U-13C; U-15N] | 4 mM | |
2 | sodium phosphate | natural abundance | 20 mM |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 4 mM [U-13C; U-15N] T.thermophila BUBL1-ubl5, 20 mM sodium phosphate, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | T.thermophila BUBL1-ubl5 | [U-13C; U-15N] | 4 mM | |
2 | sodium phosphate | natural abundance | 20 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 4 mM [U-13C; U-15N] T.thermophila BUBL1-ubl5, 20 mM sodium phosphate, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | T.thermophila BUBL1-ubl5 | [U-13C; U-15N] | 4 mM | |
2 | sodium phosphate | natural abundance | 20 mM |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 4 mM [U-13C; U-15N] T.thermophila BUBL1-ubl5, 20 mM sodium phosphate, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | T.thermophila BUBL1-ubl5 | [U-13C; U-15N] | 4 mM | |
2 | sodium phosphate | natural abundance | 20 mM |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 4 mM [U-13C; U-15N] T.thermophila BUBL1-ubl5, 20 mM sodium phosphate, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | T.thermophila BUBL1-ubl5 | [U-13C; U-15N] | 4 mM | |
2 | sodium phosphate | natural abundance | 20 mM |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 4 mM [U-13C; U-15N] T.thermophila BUBL1-ubl5, 20 mM sodium phosphate, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | T.thermophila BUBL1-ubl5 | [U-13C; U-15N] | 4 mM | |
2 | sodium phosphate | natural abundance | 20 mM |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 4 mM [U-13C; U-15N] T.thermophila BUBL1-ubl5, 20 mM sodium phosphate, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | T.thermophila BUBL1-ubl5 | [U-13C; U-15N] | 4 mM | |
2 | sodium phosphate | natural abundance | 20 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 4 mM [U-13C; U-15N] T.thermophila BUBL1-ubl5, 20 mM sodium phosphate, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | T.thermophila BUBL1-ubl5 | [U-13C; U-15N] | 4 mM | |
2 | sodium phosphate | natural abundance | 20 mM |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 4 mM [U-13C; U-15N] T.thermophila BUBL1-ubl5, 20 mM sodium phosphate, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | T.thermophila BUBL1-ubl5 | [U-13C; U-15N] | 4 mM | |
2 | sodium phosphate | natural abundance | 20 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 4 mM [U-13C; U-15N] T.thermophila BUBL1-ubl5, 20 mM sodium phosphate, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | T.thermophila BUBL1-ubl5 | [U-13C; U-15N] | 4 mM | |
2 | sodium phosphate | natural abundance | 20 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 4 mM [U-13C; U-15N] T.thermophila BUBL1-ubl5, 20 mM sodium phosphate, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | T.thermophila BUBL1-ubl5 | [U-13C; U-15N] | 4 mM | |
2 | sodium phosphate | natural abundance | 20 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_34106_5n9v.nef |
Input source #2: Coordindates | 5n9v.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- SHMQVSIEFQNGEKLKFNVQPSHKILDIKEMIFKKTNINVKDQSLKFAGNEMINQKTLSDYSIIDSTEEFTLHLETKLDLM ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| SHMQVSIEFQNGEKLKFNVQPSHKILDIKEMIFKKTNINVKDQSLKFAGNEMINQKTLSDYSIIDSTEEFTLHLETKLDLM
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 81 | 0 | 0 | 100.0 |
Content subtype: combined_34106_5n9v.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80- SHMQVSIEFQNGEKLKFNVQPSHKILDIKEMIFKKTNINVKDQSLKFAGNEMINQKTLSDYSIIDSTEEFTLHLETKLDLM ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| SHMQVSIEFQNGEKLKFNVQPSHKILDIKEMIFKKTNINVKDQSLKFAGNEMINQKTLSDYSIIDSTEEFTLHLETKLDLM
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
4 | GLN | CD | 180.733 |
10 | GLN | CD | 180.612 |
11 | ASN | CG | 176.918 |
18 | ASN | CG | 176.414 |
20 | GLN | CD | 180.1 |
37 | ASN | CG | 178.332 |
39 | ASN | CG | 175.992 |
43 | GLN | CD | 175.166 |
50 | ASN | CG | 176.516 |
54 | ASN | CG | 174.843 |
55 | GLN | CD | 180.638 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 528 | 521 | 98.7 |
13C chemical shifts | 387 | 380 | 98.2 |
15N chemical shifts | 91 | 89 | 97.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 163 | 161 | 98.8 |
13C chemical shifts | 162 | 162 | 100.0 |
15N chemical shifts | 80 | 78 | 97.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 365 | 360 | 98.6 |
13C chemical shifts | 225 | 218 | 96.9 |
15N chemical shifts | 11 | 11 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 48 | 48 | 100.0 |
13C chemical shifts | 48 | 46 | 95.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 35 | 30 | 85.7 |
13C chemical shifts | 35 | 30 | 85.7 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80- SHMQVSIEFQNGEKLKFNVQPSHKILDIKEMIFKKTNINVKDQSLKFAGNEMINQKTLSDYSIIDSTEEFTLHLETKLDLM |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .HMQVSIEFQNGEKLKFNVQPSHKILDIKEMIFKKTNINVKDQSLKFAGNEMINQKTLSDYSIIDSTEEFTLHLETKLDLM
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80- SHMQVSIEFQNGEKLKFNVQPSHKILDIKEMIFKKTNINVKDQSLKFAGNEMINQKTLSDYSIIDSTEEFTLHLETKLDLM |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| |||||||||| .HMQVSIEFQNGEKLKFNVQPSHKILDIKEMIFKKTNINVKDQSLKFAGNEMINQKTLSDYSI....EEFTLHLETK --------10--------20--------30--------40--------50--------60--------70-------