Solution Structure of human UBA-like domain of OTUD7A_11_83, NESG target HT6304a/OCSP target OTUD7A_11_83/SGC-Toronto
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 96.3 % (776 of 806) | 96.4 % (397 of 412) | 96.2 % (305 of 317) | 96.1 % (74 of 77) |
Backbone | 98.4 % (425 of 432) | 97.3 % (144 of 148) | 99.5 % (213 of 214) | 97.1 % (68 of 70) |
Sidechain | 94.8 % (419 of 442) | 95.8 % (253 of 264) | 93.6 % (160 of 171) | 85.7 % (6 of 7) |
Aromatic | 81.3 % (52 of 64) | 90.6 % (29 of 32) | 70.0 % (21 of 30) | 100.0 % (2 of 2) |
Methyl | 95.3 % (82 of 86) | 95.3 % (41 of 43) | 95.3 % (41 of 43) |
1. OTUD7A 11 83
SAECWAALLH DPMTLDMDAV LSDFVRSTGA EPGLARDLLE GKNWDLTAAL SDYEQLRQVH TANLPHVFNE GRGSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | OTUD7A_11_83 | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | zinc sulphate | natural abundance | 10 uM | |
5 | DTT | [U-100% 2H] | 10 mM | |
6 | benzamidine | natural abundance | 10 mM | |
7 | inhibitor cocktail | natural abundance | 1 na | |
8 | H2O | natural abundance | 90 % | |
9 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
10 | OTUD7A_11_83 | [U-10% 13C; U-99% 15N] | 0.5 mM | |
11 | TRIS | [U-100% 2H] | 10 mM | |
12 | sodium chloride | natural abundance | 300 mM | |
13 | zinc sulphate | natural abundance | 10 uM | |
14 | DTT | [U-100% 2H] | 10 mM | |
15 | benzamidine | natural abundance | 10 mM | |
16 | inhibitor cocktail | natural abundance | 1 na | |
17 | H2O | natural abundance | 90 % | |
18 | D2O | natural abundance | 10 % |
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 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 | OTUD7A_11_83 | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | zinc sulphate | natural abundance | 10 uM | |
5 | DTT | [U-100% 2H] | 10 mM | |
6 | benzamidine | natural abundance | 10 mM | |
7 | inhibitor cocktail | natural abundance | 1 na | |
8 | H2O | natural abundance | 90 % | |
9 | D2O | natural abundance | 10 % |
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 | OTUD7A_11_83 | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | zinc sulphate | natural abundance | 10 uM | |
5 | DTT | [U-100% 2H] | 10 mM | |
6 | benzamidine | natural abundance | 10 mM | |
7 | inhibitor cocktail | natural abundance | 1 na | |
8 | H2O | natural abundance | 90 % | |
9 | D2O | natural abundance | 10 % |
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 | OTUD7A_11_83 | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | zinc sulphate | natural abundance | 10 uM | |
5 | DTT | [U-100% 2H] | 10 mM | |
6 | benzamidine | natural abundance | 10 mM | |
7 | inhibitor cocktail | natural abundance | 1 na | |
8 | H2O | natural abundance | 90 % | |
9 | D2O | natural abundance | 10 % |
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 | OTUD7A_11_83 | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | zinc sulphate | natural abundance | 10 uM | |
5 | DTT | [U-100% 2H] | 10 mM | |
6 | benzamidine | natural abundance | 10 mM | |
7 | inhibitor cocktail | natural abundance | 1 na | |
8 | H2O | natural abundance | 90 % | |
9 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | OTUD7A_11_83 | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | zinc sulphate | natural abundance | 10 uM | |
5 | DTT | [U-100% 2H] | 10 mM | |
6 | benzamidine | natural abundance | 10 mM | |
7 | inhibitor cocktail | natural abundance | 1 na | |
8 | H2O | natural abundance | 90 % | |
9 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | OTUD7A_11_83 | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | zinc sulphate | natural abundance | 10 uM | |
5 | DTT | [U-100% 2H] | 10 mM | |
6 | benzamidine | natural abundance | 10 mM | |
7 | inhibitor cocktail | natural abundance | 1 na | |
8 | H2O | natural abundance | 90 % | |
9 | D2O | natural abundance | 10 % |
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 | OTUD7A_11_83 | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | zinc sulphate | natural abundance | 10 uM | |
5 | DTT | [U-100% 2H] | 10 mM | |
6 | benzamidine | natural abundance | 10 mM | |
7 | inhibitor cocktail | natural abundance | 1 na | |
8 | H2O | natural abundance | 90 % | |
9 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | OTUD7A_11_83 | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | zinc sulphate | natural abundance | 10 uM | |
5 | DTT | [U-100% 2H] | 10 mM | |
6 | benzamidine | natural abundance | 10 mM | |
7 | inhibitor cocktail | natural abundance | 1 na | |
8 | H2O | natural abundance | 90 % | |
9 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | OTUD7A_11_83 | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | zinc sulphate | natural abundance | 10 uM | |
5 | DTT | [U-100% 2H] | 10 mM | |
6 | benzamidine | natural abundance | 10 mM | |
7 | inhibitor cocktail | natural abundance | 1 na | |
8 | H2O | natural abundance | 90 % | |
9 | D2O | natural abundance | 10 % |
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 |
---|---|---|---|---|
10 | OTUD7A_11_83 | [U-10% 13C; U-99% 15N] | 0.5 mM | |
11 | TRIS | [U-100% 2H] | 10 mM | |
12 | sodium chloride | natural abundance | 300 mM | |
13 | zinc sulphate | natural abundance | 10 uM | |
14 | DTT | [U-100% 2H] | 10 mM | |
15 | benzamidine | natural abundance | 10 mM | |
16 | inhibitor cocktail | natural abundance | 1 na | |
17 | H2O | natural abundance | 90 % | |
18 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_17132_2l2d.nef |
Input source #2: Coordindates | 2l2d.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
--------20--------30--------40--------50--------60--------70--------80--- SAECWAALLHDPMTLDMDAVLSDFVRSTGAEPGLARDLLEGKNWDLTAALSDYEQLRQVHTANLPHVFNEGRG ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| SAECWAALLHDPMTLDMDAVLSDFVRSTGAEPGLARDLLEGKNWDLTAALSDYEQLRQVHTANLPHVFNEGRG --------10--------20--------30--------40--------50--------60--------70---
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 73 | 0 | 0 | 100.0 |
Content subtype: combined_17132_2l2d.nef
Assigned chemical shifts
--------20--------30--------40--------50--------60--------70--------80--- SAECWAALLHDPMTLDMDAVLSDFVRSTGAEPGLARDLLEGKNWDLTAALSDYEQLRQVHTANLPHVFNEGRG ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| SAECWAALLHDPMTLDMDAVLSDFVRSTGAEPGLARDLLEGKNWDLTAALSDYEQLRQVHTANLPHVFNEGRG
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 412 | 397 | 96.4 |
13C chemical shifts | 317 | 302 | 95.3 |
15N chemical shifts | 81 | 73 | 90.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 148 | 146 | 98.6 |
13C chemical shifts | 146 | 142 | 97.3 |
15N chemical shifts | 70 | 68 | 97.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 264 | 251 | 95.1 |
13C chemical shifts | 171 | 160 | 93.6 |
15N chemical shifts | 11 | 5 | 45.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 45 | 43 | 95.6 |
13C chemical shifts | 45 | 43 | 95.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 32 | 29 | 90.6 |
13C chemical shifts | 30 | 21 | 70.0 |
15N chemical shifts | 2 | 2 | 100.0 |
Distance restraints
--------20--------30--------40--------50--------60--------70--------80--- SAECWAALLHDPMTLDMDAVLSDFVRSTGAEPGLARDLLEGKNWDLTAALSDYEQLRQVHTANLPHVFNEGRG ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| || .AECWAALLHDPMTLDMDAVLSDFVRSTGAEPGLARDLLEGKNWDLTAALSDYEQLRQVHTANLPHVFNE.RG
Dihedral angle restraints
--------20--------30--------40--------50--------60--------70--------80--- SAECWAALLHDPMTLDMDAVLSDFVRSTGAEPGLARDLLEGKNWDLTAALSDYEQLRQVHTANLPHVFNEGRG |||||||||||||||||||||||||||||||||||||||||||||| .............TLDMDAVLSDFVRSTGAEPGLARDLLEGKNWDLTAALSDYEQLRQV --------20--------30--------40--------50--------60---------