Solution NMR structure of human ubiquitin specific protease Usp7 UBL domain (residues 537-664). NESG target hr4395c/ SGC-Toronto
GSPQQLVERL QEEKRIEAQK RKERQEAHLY MQVQIVAEDQ FCGHQGNDMY DEEKVKYTVF KVLKNSSLAE FVQSLSQTMG FPQDQIRLWP MQARSNGTKR PAMLDNEADG NKTMIELSDN ENPWTIFLET
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 89.8 % (1411 of 1571) | 89.8 % (747 of 832) | 90.4 % (534 of 591) | 87.8 % (130 of 148) |
Backbone | 92.2 % (710 of 770) | 91.6 % (239 of 261) | 92.7 % (356 of 384) | 92.0 % (115 of 125) |
Sidechain | 89.0 % (823 of 925) | 89.0 % (508 of 571) | 90.6 % (300 of 331) | 65.2 % (15 of 23) |
Aromatic | 71.7 % (76 of 106) | 77.4 % (41 of 53) | 64.7 % (33 of 51) | 100.0 % (2 of 2) |
Methyl | 100.0 % (114 of 114) | 100.0 % (57 of 57) | 100.0 % (57 of 57) |
1. usp7-ubl1
GSPQQLVERL QEEKRIEAQK RKERQEAHLY MQVQIVAEDQ FCGHQGNDMY DEEKVKYTVF KVLKNSSLAE FVQSLSQTMG FPQDQIRLWP MQARSNGTKR PAMLDNEADG NKTMIELSDN ENPWTIFLETSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.8-1.2 mM | |
2 | sodium phosphate, pH 7.0 | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 250 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | PMSF | natural abundance | 0.5 mM | |
6 | benzamidine | natural abundance | 1 mM | |
7 | TCEP | natural abundance | 1 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl carbons | 0.0 ppm | na | indirect | 0.2514 |
1H | DSS | methyl carbons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl carbons | 0.0 ppm | na | indirect | 0.1013 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl carbons | 0.0 ppm | na | indirect | 0.2514 |
1H | DSS | methyl carbons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl carbons | 0.0 ppm | na | indirect | 0.1013 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl carbons | 0.0 ppm | na | indirect | 0.2514 |
1H | DSS | methyl carbons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl carbons | 0.0 ppm | na | indirect | 0.1013 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl carbons | 0.0 ppm | na | indirect | 0.2514 |
1H | DSS | methyl carbons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl carbons | 0.0 ppm | na | indirect | 0.1013 |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.8-1.2 mM | |
2 | sodium phosphate, pH 7.0 | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 250 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | PMSF | natural abundance | 0.5 mM | |
6 | benzamidine | natural abundance | 1 mM | |
7 | TCEP | natural abundance | 1 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.8-1.2 mM | |
2 | sodium phosphate, pH 7.0 | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 250 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | PMSF | natural abundance | 0.5 mM | |
6 | benzamidine | natural abundance | 1 mM | |
7 | TCEP | natural abundance | 1 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.8-1.2 mM | |
2 | sodium phosphate, pH 7.0 | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 250 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | PMSF | natural abundance | 0.5 mM | |
6 | benzamidine | natural abundance | 1 mM | |
7 | TCEP | natural abundance | 1 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.8-1.2 mM | |
2 | sodium phosphate, pH 7.0 | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 250 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | PMSF | natural abundance | 0.5 mM | |
6 | benzamidine | natural abundance | 1 mM | |
7 | TCEP | natural abundance | 1 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.8-1.2 mM | |
2 | sodium phosphate, pH 7.0 | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 250 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | PMSF | natural abundance | 0.5 mM | |
6 | benzamidine | natural abundance | 1 mM | |
7 | TCEP | natural abundance | 1 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.8-1.2 mM | |
2 | sodium phosphate, pH 7.0 | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 250 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | PMSF | natural abundance | 0.5 mM | |
6 | benzamidine | natural abundance | 1 mM | |
7 | TCEP | natural abundance | 1 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.8-1.2 mM | |
2 | sodium phosphate, pH 7.0 | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 250 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | PMSF | natural abundance | 0.5 mM | |
6 | benzamidine | natural abundance | 1 mM | |
7 | TCEP | natural abundance | 1 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.8-1.2 mM | |
2 | sodium phosphate, pH 7.0 | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 250 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | PMSF | natural abundance | 0.5 mM | |
6 | benzamidine | natural abundance | 1 mM | |
7 | TCEP | natural abundance | 1 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.8-1.2 mM | |
2 | sodium phosphate, pH 7.0 | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 250 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | PMSF | natural abundance | 0.5 mM | |
6 | benzamidine | natural abundance | 1 mM | |
7 | TCEP | natural abundance | 1 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.8-1.2 mM | |
2 | sodium phosphate, pH 7.0 | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 250 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | PMSF | natural abundance | 0.5 mM | |
6 | benzamidine | natural abundance | 1 mM | |
7 | TCEP | natural abundance | 1 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_16789_2kvr.nef |
Input source #2: Coordindates | 2kvr.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
-0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------1 GSPQQLVERLQEEKRIEAQKRKERQEAHLYMQVQIVAEDQFCGHQGNDMYDEEKVKYTVFKVLKNSSLAEFVQSLSQTMGFPQDQIRLWPMQARSNGTKR |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSPQQLVERLQEEKRIEAQKRKERQEAHLYMQVQIVAEDQFCGHQGNDMYDEEKVKYTVFKVLKNSSLAEFVQSLSQTMGFPQDQIRLWPMQARSNGTKR --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 00-------110-------120-------- PAMLDNEADGNKTMIELSDNENPWTIFLET |||||||||||||||||||||||||||||| PAMLDNEADGNKTMIELSDNENPWTIFLET -------110-------120-------130
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 130 | 0 | 0 | 100.0 |
Content subtype: combined_16789_2kvr.nef
Assigned chemical shifts
-0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------1 GSPQQLVERLQEEKRIEAQKRKERQEAHLYMQVQIVAEDQFCGHQGNDMYDEEKVKYTVFKVLKNSSLAEFVQSLSQTMGFPQDQIRLWPMQARSNGTKR |||||||||||||||||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..PQQLVERLQEEKRIEAQKRK.RQEAHLYMQVQIVAEDQFCGHQGNDMYDEEKVKYTVFKVLKNSSLAEFVQSLSQTMGFPQDQIRLWPMQARSNGTKR 00-------110-------120-------- PAMLDNEADGNKTMIELSDNENPWTIFLET |||||||||||||||||||||||||||||| PAMLDNEADGNKTMIELSDNENPWTIFLET
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 832 | 740 | 88.9 |
13C chemical shifts | 591 | 524 | 88.7 |
15N chemical shifts | 155 | 123 | 79.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 261 | 238 | 91.2 |
13C chemical shifts | 260 | 227 | 87.3 |
15N chemical shifts | 125 | 109 | 87.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 571 | 502 | 87.9 |
13C chemical shifts | 331 | 297 | 89.7 |
15N chemical shifts | 30 | 14 | 46.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 63 | 63 | 100.0 |
13C chemical shifts | 63 | 63 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 53 | 39 | 73.6 |
13C chemical shifts | 51 | 33 | 64.7 |
15N chemical shifts | 2 | 2 | 100.0 |
Distance restraints
-0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------1 GSPQQLVERLQEEKRIEAQKRKERQEAHLYMQVQIVAEDQFCGHQGNDMYDEEKVKYTVFKVLKNSSLAEFVQSLSQTMGFPQDQIRLWPMQARSNGTKR |||||||||||||||||||| |||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||| ..PQQLVERLQEEKRIEAQKRK.RQEAHLYMQVQIVAEDQFCGHQ.NDMYDEEKVKYTVFKVLKNSSLAEFVQSLSQTMGFPQDQIRLWPMQARSNGTKR 00-------110-------120-------- PAMLDNEADGNKTMIELSDNENPWTIFLET |||||||||||||||||||||||||||||| PAMLDNEADGNKTMIELSDNENPWTIFLET
Dihedral angle restraints
-0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------1 GSPQQLVERLQEEKRIEAQKRKERQEAHLYMQVQIVAEDQFCGHQGNDMYDEEKVKYTVFKVLKNSSLAEFVQSLSQTMGFPQDQIRLWPMQARSNGTKR |||||||||||||||||||| |||||||||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||| ..PQQLVERLQEEKRIEAQKRK..QEAHLYMQVQIVAEDQFC.......YDEEKVKYTVFKVLKNSSLAEFVQSLSQTMGFPQDQIRLWPMQARSNG... 00-------110-------120-------- PAMLDNEADGNKTMIELSDNENPWTIFLET |||||||||||||||||||||||||||||| PAMLDNEADGNKTMIELSDNENPWTIFLET