NMR structure of the ubiquitin associated (UBA) domain of p62 (SQSTM1) in complex with ubiquitin. RDC refined
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 39.5 % (591 of 1495) | 37.9 % (296 of 782) | 41.4 % (239 of 577) | 41.2 % (56 of 136) |
Backbone | 42.1 % (319 of 758) | 41.6 % (109 of 262) | 42.6 % (159 of 373) | 41.5 % (51 of 123) |
Sidechain | 37.7 % (322 of 854) | 36.0 % (187 of 520) | 40.5 % (130 of 321) | 38.5 % (5 of 13) |
Aromatic | 56.8 % (42 of 74) | 56.8 % (21 of 37) | 55.6 % (20 of 36) | 100.0 % (1 of 1) |
Methyl | 35.1 % (52 of 148) | 35.1 % (26 of 74) | 35.1 % (26 of 74) |
1. P62 UBA
GSPPEADPRL IESLSQMLSM GFSDEGGWLT RLLQTKNYDI GAALDTIQYS KH2. ubiquitin
MQIFVKTLTG KTITLEVESS DTIDNVKSKI QDKEGIPPDQ QRLIFAGKQL EDGRTLSDYN IQKESTLHLV LRLRGGSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 15N] | 1 mM | |
2 | ubiquitin | 6 mM | ||
3 | potassium phosphate | natural abundance | 50 mM | |
4 | sodium chloride | natural abundance | 50 mM | |
5 | sodium azide | natural abundance | 0.04 % | |
6 | D2O | [U-100% 2H] | 10 % | |
7 | H2O | 90 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
9 | ubiquitin | 6 mM | ||
10 | potassium phosphate | natural abundance | 50 mM | |
11 | sodium chloride | natural abundance | 50 mM | |
12 | sodium azide | natural abundance | 0.04 % | |
13 | D2O | [U-100% 2H] | 10 % | |
14 | H2O | 90 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 5% Polyacrylamide gel
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
15 | entity | [U-100% 15N] | 1 mM | |
16 | ubiquitin | 6 mM | ||
17 | potassium phosphate | natural abundance | 50 mM | |
18 | sodium chloride | natural abundance | 50 mM | |
19 | sodium azide | natural abundance | 0.04 % | |
20 | D2O | [U-100% 2H] | 10 % | |
21 | H2O | 90 % |
Pressure 1 atm, Temperature 298 K, pH 7
Experiment name 2D 1H-15N HSQC-IPAP
List #1 RDC_list_1, RDC code DNH, Field strength (1H) 600.13 MHz
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 15N] | 1 mM | |
2 | ubiquitin | 6 mM | ||
3 | potassium phosphate | natural abundance | 50 mM | |
4 | sodium chloride | natural abundance | 50 mM | |
5 | sodium azide | natural abundance | 0.04 % | |
6 | D2O | [U-100% 2H] | 10 % | |
7 | H2O | 90 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 15N] | 1 mM | |
2 | ubiquitin | 6 mM | ||
3 | potassium phosphate | natural abundance | 50 mM | |
4 | sodium chloride | natural abundance | 50 mM | |
5 | sodium azide | natural abundance | 0.04 % | |
6 | D2O | [U-100% 2H] | 10 % | |
7 | H2O | 90 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 15N] | 1 mM | |
2 | ubiquitin | 6 mM | ||
3 | potassium phosphate | natural abundance | 50 mM | |
4 | sodium chloride | natural abundance | 50 mM | |
5 | sodium azide | natural abundance | 0.04 % | |
6 | D2O | [U-100% 2H] | 10 % | |
7 | H2O | 90 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
9 | ubiquitin | 6 mM | ||
10 | potassium phosphate | natural abundance | 50 mM | |
11 | sodium chloride | natural abundance | 50 mM | |
12 | sodium azide | natural abundance | 0.04 % | |
13 | D2O | [U-100% 2H] | 10 % | |
14 | H2O | 90 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
9 | ubiquitin | 6 mM | ||
10 | potassium phosphate | natural abundance | 50 mM | |
11 | sodium chloride | natural abundance | 50 mM | |
12 | sodium azide | natural abundance | 0.04 % | |
13 | D2O | [U-100% 2H] | 10 % | |
14 | H2O | 90 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
9 | ubiquitin | 6 mM | ||
10 | potassium phosphate | natural abundance | 50 mM | |
11 | sodium chloride | natural abundance | 50 mM | |
12 | sodium azide | natural abundance | 0.04 % | |
13 | D2O | [U-100% 2H] | 10 % | |
14 | H2O | 90 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
9 | ubiquitin | 6 mM | ||
10 | potassium phosphate | natural abundance | 50 mM | |
11 | sodium chloride | natural abundance | 50 mM | |
12 | sodium azide | natural abundance | 0.04 % | |
13 | D2O | [U-100% 2H] | 10 % | |
14 | H2O | 90 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
9 | ubiquitin | 6 mM | ||
10 | potassium phosphate | natural abundance | 50 mM | |
11 | sodium chloride | natural abundance | 50 mM | |
12 | sodium azide | natural abundance | 0.04 % | |
13 | D2O | [U-100% 2H] | 10 % | |
14 | H2O | 90 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
9 | ubiquitin | 6 mM | ||
10 | potassium phosphate | natural abundance | 50 mM | |
11 | sodium chloride | natural abundance | 50 mM | |
12 | sodium azide | natural abundance | 0.04 % | |
13 | D2O | [U-100% 2H] | 10 % | |
14 | H2O | 90 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
9 | ubiquitin | 6 mM | ||
10 | potassium phosphate | natural abundance | 50 mM | |
11 | sodium chloride | natural abundance | 50 mM | |
12 | sodium azide | natural abundance | 0.04 % | |
13 | D2O | [U-100% 2H] | 10 % | |
14 | H2O | 90 % |
Bruker Avance - 600 MHz
State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 5% Polyacrylamide gel
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
15 | entity | [U-100% 15N] | 1 mM | |
16 | ubiquitin | 6 mM | ||
17 | potassium phosphate | natural abundance | 50 mM | |
18 | sodium chloride | natural abundance | 50 mM | |
19 | sodium azide | natural abundance | 0.04 % | |
20 | D2O | [U-100% 2H] | 10 % | |
21 | H2O | 90 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_15592_2jy8.nef |
Input source #2: Coordindates | 2jy8.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-- GSPPEADPRLIESLSQMLSMGFSDEGGWLTRLLQTKNYDIGAALDTIQYSKH |||||||||||||||||||||||||||||||||||||||||||||||||||| GSPPEADPRLIESLSQMLSMGFSDEGGWLTRLLQTKNYDIGAALDTIQYSKH
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 52 | 0 | 0 | 100.0 |
Content subtype: combined_15592_2jy8.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50-- GSPPEADPRLIESLSQMLSMGFSDEGGWLTRLLQTKNYDIGAALDTIQYSKH |||||||||||||||||||||||||||||||||||||||||||||||||||| GSPPEADPRLIESLSQMLSMGFSDEGGWLTRLLQTKNYDIGAALDTIQYSKH
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 308 | 283 | 91.9 |
13C chemical shifts | 230 | 227 | 98.7 |
15N chemical shifts | 56 | 53 | 94.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 106 | 103 | 97.2 |
13C chemical shifts | 104 | 101 | 97.1 |
15N chemical shifts | 49 | 47 | 95.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 202 | 180 | 89.1 |
13C chemical shifts | 126 | 126 | 100.0 |
15N chemical shifts | 7 | 6 | 85.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 28 | 28 | 100.0 |
13C chemical shifts | 28 | 28 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 21 | 21 | 100.0 |
13C chemical shifts | 20 | 20 | 100.0 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50-- GSPPEADPRLIESLSQMLSMGFSDEGGWLTRLLQTKNYDIGAALDTIQYSKH | || |||||| |||||| ||| ||||| ||||||| || ...P....RL..SLSQML.MGFSDE..WLT.LLQTK.YDIGAAL..IQ --------10--------20--------30--------40--------
--------10--------20--------30--------40--------50-- GSPPEADPRLIESLSQMLSMGFSDEGGWLTRLLQTKNYDIGAALDTIQYSKH ||||||||||||||||||||||||||||||||||||||||||||||||| ...PEADPRLIESLSQMLSMGFSDEGGWLTRLLQTKNYDIGAALDTIQYSKH
--------10--------20--------30--------40--------50-- GSPPEADPRLIESLSQMLSMGFSDEGGWLTRLLQTKNYDIGAALDTIQYSKH ||||||||||||||||||||||| ||||||||||||||||||||||| || ..PPEADPRLIESLSQMLSMGFSDE.GWLTRLLQTKNYDIGAALDTIQY.KH
--------10--------20--------30--------40--------50-- GSPPEADPRLIESLSQMLSMGFSDEGGWLTRLLQTKNYDIGAALDTIQYSKH ||||||||||||||||||| ||||| ||||||||||||||||||||||||| .SPPEADPRLIESLSQMLSM.FSDEG.WLTRLLQTKNYDIGAALDTIQYSKH
--------10--------20--------30--------40--------50-- GSPPEADPRLIESLSQMLSMGFSDEGGWLTRLLQTKNYDIGAALDTIQYSKH |||||||||||||| |||||||| |||||||||||||||||||||| ..PPEADPRLIESLSQ.LSMGFSDE.GWLTRLLQTKNYDIGAALDTIQ --------10--------20--------30--------40--------
Dihedral angle restraints
--------10--------20--------30--------40--------50-- GSPPEADPRLIESLSQMLSMGFSDEGGWLTRLLQTKNYDIGAALDTIQYSKH |||| |||||||||||||||||| |||||||||||||||||||| GSPP...PRLIESLSQMLSMGFSDE...LTRLLQTKNYDIGAALDTIQ --------10--------20--------30--------40--------