Solution NMR structure of the N-terminal Ubiquitin-like Domain from Tubulin-binding Cofactor B, CG11242, from Drosophila melanogaster. Northeast Structural Genomics Consortium Target FR629A (residues 8-92).
MGHHHHHHSH GKSDFIKVNV SNSHNDAVAF EVKLAKDLTV AQLKTKLEIL TGGCAGTMKV QVFKGDTCVS TMDNNDAQLG YYANSDGLRL HVVDS
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 89.2 % (938 of 1051) | 89.6 % (480 of 536) | 88.8 % (365 of 411) | 89.4 % (93 of 104) |
Backbone | 89.1 % (508 of 570) | 89.4 % (177 of 198) | 89.2 % (247 of 277) | 88.4 % (84 of 95) |
Sidechain | 89.6 % (509 of 568) | 89.6 % (303 of 338) | 89.1 % (197 of 221) | 100.0 % (9 of 9) |
Aromatic | 65.9 % (54 of 82) | 65.9 % (27 of 41) | 65.9 % (27 of 41) | |
Methyl | 100.0 % (106 of 106) | 100.0 % (53 of 53) | 100.0 % (53 of 53) |
1. CG11242
MGHHHHHHSH GKSDFIKVNV SNSHNDAVAF EVKLAKDLTV AQLKTKLEIL TGGCAGTMKV QVFKGDTCVS TMDNNDAQLG YYANSDGLRL HVVDSSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 6.0 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MES | natural abundance | 50 (±2.5) mM | |
2 | arginine | natural abundance | 50 (±2.5) mM | |
3 | DTT | natural abundance | 10 (±0.5) mM | |
4 | sodium azide | natural abundance | 0.02 (±0.001) % | |
5 | entity | [U-100% 13C; U-100% 15N] | 1.1 (±0.05) mM | |
6 | DSS | natural abundance | 50 (±2.5) uM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 6.0 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | MES | natural abundance | 50 (±2.5) mM | |
10 | arginine | natural abundance | 50 (±2.5) mM | |
11 | DTT | natural abundance | 10 (±0.5) mM | |
12 | sodium azide | natural abundance | 0.02 (±0.001) % | |
13 | entity | [U-5% 13C; U-100% 15N] | 1.0 (±0.05) mM | |
14 | DSS | natural abundance | 50 (±2.5) uM | |
15 | H2O | natural abundance | 95 % | |
16 | D2O | natural abundance | 5 % |
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 |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 6.0 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MES | natural abundance | 50 (±2.5) mM | |
2 | arginine | natural abundance | 50 (±2.5) mM | |
3 | DTT | natural abundance | 10 (±0.5) mM | |
4 | sodium azide | natural abundance | 0.02 (±0.001) % | |
5 | entity | [U-100% 13C; U-100% 15N] | 1.1 (±0.05) mM | |
6 | DSS | natural abundance | 50 (±2.5) uM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 6.0 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MES | natural abundance | 50 (±2.5) mM | |
2 | arginine | natural abundance | 50 (±2.5) mM | |
3 | DTT | natural abundance | 10 (±0.5) mM | |
4 | sodium azide | natural abundance | 0.02 (±0.001) % | |
5 | entity | [U-100% 13C; U-100% 15N] | 1.1 (±0.05) mM | |
6 | DSS | natural abundance | 50 (±2.5) uM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 6.0 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MES | natural abundance | 50 (±2.5) mM | |
2 | arginine | natural abundance | 50 (±2.5) mM | |
3 | DTT | natural abundance | 10 (±0.5) mM | |
4 | sodium azide | natural abundance | 0.02 (±0.001) % | |
5 | entity | [U-100% 13C; U-100% 15N] | 1.1 (±0.05) mM | |
6 | DSS | natural abundance | 50 (±2.5) uM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 6.0 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MES | natural abundance | 50 (±2.5) mM | |
2 | arginine | natural abundance | 50 (±2.5) mM | |
3 | DTT | natural abundance | 10 (±0.5) mM | |
4 | sodium azide | natural abundance | 0.02 (±0.001) % | |
5 | entity | [U-100% 13C; U-100% 15N] | 1.1 (±0.05) mM | |
6 | DSS | natural abundance | 50 (±2.5) uM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 6.0 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MES | natural abundance | 50 (±2.5) mM | |
2 | arginine | natural abundance | 50 (±2.5) mM | |
3 | DTT | natural abundance | 10 (±0.5) mM | |
4 | sodium azide | natural abundance | 0.02 (±0.001) % | |
5 | entity | [U-100% 13C; U-100% 15N] | 1.1 (±0.05) mM | |
6 | DSS | natural abundance | 50 (±2.5) uM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 6.0 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MES | natural abundance | 50 (±2.5) mM | |
2 | arginine | natural abundance | 50 (±2.5) mM | |
3 | DTT | natural abundance | 10 (±0.5) mM | |
4 | sodium azide | natural abundance | 0.02 (±0.001) % | |
5 | entity | [U-100% 13C; U-100% 15N] | 1.1 (±0.05) mM | |
6 | DSS | natural abundance | 50 (±2.5) uM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 6.0 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MES | natural abundance | 50 (±2.5) mM | |
2 | arginine | natural abundance | 50 (±2.5) mM | |
3 | DTT | natural abundance | 10 (±0.5) mM | |
4 | sodium azide | natural abundance | 0.02 (±0.001) % | |
5 | entity | [U-100% 13C; U-100% 15N] | 1.1 (±0.05) mM | |
6 | DSS | natural abundance | 50 (±2.5) uM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 6.0 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MES | natural abundance | 50 (±2.5) mM | |
2 | arginine | natural abundance | 50 (±2.5) mM | |
3 | DTT | natural abundance | 10 (±0.5) mM | |
4 | sodium azide | natural abundance | 0.02 (±0.001) % | |
5 | entity | [U-100% 13C; U-100% 15N] | 1.1 (±0.05) mM | |
6 | DSS | natural abundance | 50 (±2.5) uM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 6.0 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MES | natural abundance | 50 (±2.5) mM | |
2 | arginine | natural abundance | 50 (±2.5) mM | |
3 | DTT | natural abundance | 10 (±0.5) mM | |
4 | sodium azide | natural abundance | 0.02 (±0.001) % | |
5 | entity | [U-100% 13C; U-100% 15N] | 1.1 (±0.05) mM | |
6 | DSS | natural abundance | 50 (±2.5) uM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 6.0 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MES | natural abundance | 50 (±2.5) mM | |
2 | arginine | natural abundance | 50 (±2.5) mM | |
3 | DTT | natural abundance | 10 (±0.5) mM | |
4 | sodium azide | natural abundance | 0.02 (±0.001) % | |
5 | entity | [U-100% 13C; U-100% 15N] | 1.1 (±0.05) mM | |
6 | DSS | natural abundance | 50 (±2.5) uM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 6.0 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MES | natural abundance | 50 (±2.5) mM | |
2 | arginine | natural abundance | 50 (±2.5) mM | |
3 | DTT | natural abundance | 10 (±0.5) mM | |
4 | sodium azide | natural abundance | 0.02 (±0.001) % | |
5 | entity | [U-100% 13C; U-100% 15N] | 1.1 (±0.05) mM | |
6 | DSS | natural abundance | 50 (±2.5) uM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 6.0 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MES | natural abundance | 50 (±2.5) mM | |
2 | arginine | natural abundance | 50 (±2.5) mM | |
3 | DTT | natural abundance | 10 (±0.5) mM | |
4 | sodium azide | natural abundance | 0.02 (±0.001) % | |
5 | entity | [U-100% 13C; U-100% 15N] | 1.1 (±0.05) mM | |
6 | DSS | natural abundance | 50 (±2.5) uM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 6.0 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | MES | natural abundance | 50 (±2.5) mM | |
10 | arginine | natural abundance | 50 (±2.5) mM | |
11 | DTT | natural abundance | 10 (±0.5) mM | |
12 | sodium azide | natural abundance | 0.02 (±0.001) % | |
13 | entity | [U-5% 13C; U-100% 15N] | 1.0 (±0.05) mM | |
14 | DSS | natural abundance | 50 (±2.5) uM | |
15 | H2O | natural abundance | 95 % | |
16 | D2O | natural abundance | 5 % |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 6.0 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | MES | natural abundance | 50 (±2.5) mM | |
10 | arginine | natural abundance | 50 (±2.5) mM | |
11 | DTT | natural abundance | 10 (±0.5) mM | |
12 | sodium azide | natural abundance | 0.02 (±0.001) % | |
13 | entity | [U-5% 13C; U-100% 15N] | 1.0 (±0.05) mM | |
14 | DSS | natural abundance | 50 (±2.5) uM | |
15 | H2O | natural abundance | 95 % | |
16 | D2O | natural abundance | 5 % |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 6.0 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MES | natural abundance | 50 (±2.5) mM | |
2 | arginine | natural abundance | 50 (±2.5) mM | |
3 | DTT | natural abundance | 10 (±0.5) mM | |
4 | sodium azide | natural abundance | 0.02 (±0.001) % | |
5 | entity | [U-100% 13C; U-100% 15N] | 1.1 (±0.05) mM | |
6 | DSS | natural abundance | 50 (±2.5) uM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 6.0 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MES | natural abundance | 50 (±2.5) mM | |
2 | arginine | natural abundance | 50 (±2.5) mM | |
3 | DTT | natural abundance | 10 (±0.5) mM | |
4 | sodium azide | natural abundance | 0.02 (±0.001) % | |
5 | entity | [U-100% 13C; U-100% 15N] | 1.1 (±0.05) mM | |
6 | DSS | natural abundance | 50 (±2.5) uM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_16338_2kjr.nef |
Input source #2: Coordindates | 2kjr.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----- MGHHHHHHSHGKSDFIKVNVSNSHNDAVAFEVKLAKDLTVAQLKTKLEILTGGCAGTMKVQVFKGDTCVSTMDNNDAQLGYYANSDGLRLHVVDS ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MGHHHHHHSHGKSDFIKVNVSNSHNDAVAFEVKLAKDLTVAQLKTKLEILTGGCAGTMKVQVFKGDTCVSTMDNNDAQLGYYANSDGLRLHVVDS
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_16338_2kjr.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90----- MGHHHHHHSHGKSDFIKVNVSNSHNDAVAFEVKLAKDLTVAQLKTKLEILTGGCAGTMKVQVFKGDTCVSTMDNNDAQLGYYANSDGLRLHVVDS ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..........GKSDFIKVNVSNSHNDAVAFEVKLAKDLTVAQLKTKLEILTGGCAGTMKVQVFKGDTCVSTMDNNDAQLGYYANSDGLRLHVVDS
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
19 | ASN | CG | 175.8 |
22 | ASN | CG | 175.5 |
24 | HIS | NE2 | 175.8 |
25 | ASN | CG | 176.6 |
39 | THR | HG1 | 5.71 |
42 | GLN | CD | 180.0 |
61 | GLN | CD | 178.3 |
74 | ASN | CG | 180.1 |
75 | ASN | CG | 175.8 |
78 | GLN | CD | 180.0 |
84 | ASN | CG | 177.5 |
89 | ARG | CZ | 158.5 |
91 | HIS | ND1 | 242.2 |
91 | HIS | NE2 | 163.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 411 | 363 | 88.3 |
1H chemical shifts | 536 | 477 | 89.0 |
15N chemical shifts | 105 | 93 | 88.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 190 | 167 | 87.9 |
1H chemical shifts | 198 | 174 | 87.9 |
15N chemical shifts | 95 | 83 | 87.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 221 | 196 | 88.7 |
1H chemical shifts | 338 | 303 | 89.6 |
15N chemical shifts | 10 | 10 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 56 | 55 | 98.2 |
1H chemical shifts | 56 | 55 | 98.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 41 | 27 | 65.9 |
1H chemical shifts | 41 | 27 | 65.9 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90----- MGHHHHHHSHGKSDFIKVNVSNSHNDAVAFEVKLAKDLTVAQLKTKLEILTGGCAGTMKVQVFKGDTCVSTMDNNDAQLGYYANSDGLRLHVVDS |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ...........KSDFIKVNVSNSHNDAVAFEVKLAKDLTVAQLKTKLEILTGGCAGTMKVQVFKGDTCVSTMDNNDAQLGYYANSDGLRLHVVDS
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90----- MGHHHHHHSHGKSDFIKVNVSNSHNDAVAFEVKLAKDLTVAQLKTKLEILTGGCAGTMKVQVFKGDTCVSTMDNNDAQLGYYANSDGLRLHVVDS |||||||||| ||||||||||||||||||||||||||||||||||||||||||||| ||||||||| ||||||||| .............DFIKVNVSNS..DAVAFEVKLAKDLTVAQLKTKLEILTGGCAGTMKVQVFKGDTCVS..DNNDAQLGY.....GLRLHVVDS