NMR solution structure of the N-terminal domain of human USP28. Northeast structural genomics consortium target HT8470A
MHHHHHHSSG RENLYFQGQM LLNQLREITG IQDPSFLHEA LKASNGDITQ AVSLLTDERV KEPSQDTVAT EPSEVEGSAA NKEVLAKVID LTHDNKDDLQ AAIALSLLES PKIQADGRDL NRMHEATSA
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 79.2 % (1141 of 1441) | 79.9 % (596 of 746) | 77.3 % (430 of 556) | 82.7 % (115 of 139) |
Backbone | 83.7 % (641 of 766) | 84.2 % (219 of 260) | 83.5 % (318 of 381) | 83.2 % (104 of 125) |
Sidechain | 75.9 % (606 of 798) | 77.6 % (377 of 486) | 73.2 % (218 of 298) | 78.6 % (11 of 14) |
Aromatic | 12.5 % (8 of 64) | 18.8 % (6 of 32) | 6.3 % (2 of 32) | |
Methyl | 81.1 % (120 of 148) | 82.4 % (61 of 74) | 79.7 % (59 of 74) |
1. hs356 22 132
MHHHHHHSSG RENLYFQGQM LLNQLREITG IQDPSFLHEA LKASNGDITQ AVSLLTDERV KEPSQDTVAT EPSEVEGSAA NKEVLAKVID LTHDNKDDLQ AAIALSLLES PKIQADGRDL NRMHEATSASolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hs356_22_132 | [U-13C; U-15N] | 0.5 mM | |
2 | mops | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 450 mM | |
4 | ZnSO4 | natural abundance | 10 uM | |
5 | DTT | natural abundance | 1 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 1 mM | |
8 | H2O | natural abundance | 90 % | |
9 | 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 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hs356_22_132 | [U-13C; U-15N] | 0.5 mM | |
2 | mops | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 450 mM | |
4 | ZnSO4 | natural abundance | 10 uM | |
5 | DTT | natural abundance | 1 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 1 mM | |
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 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hs356_22_132 | [U-13C; U-15N] | 0.5 mM | |
2 | mops | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 450 mM | |
4 | ZnSO4 | natural abundance | 10 uM | |
5 | DTT | natural abundance | 1 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 1 mM | |
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 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hs356_22_132 | [U-13C; U-15N] | 0.5 mM | |
2 | mops | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 450 mM | |
4 | ZnSO4 | natural abundance | 10 uM | |
5 | DTT | natural abundance | 1 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 1 mM | |
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 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hs356_22_132 | [U-13C; U-15N] | 0.5 mM | |
2 | mops | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 450 mM | |
4 | ZnSO4 | natural abundance | 10 uM | |
5 | DTT | natural abundance | 1 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 1 mM | |
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 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hs356_22_132 | [U-13C; U-15N] | 0.5 mM | |
2 | mops | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 450 mM | |
4 | ZnSO4 | natural abundance | 10 uM | |
5 | DTT | natural abundance | 1 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 1 mM | |
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 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hs356_22_132 | [U-13C; U-15N] | 0.5 mM | |
2 | mops | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 450 mM | |
4 | ZnSO4 | natural abundance | 10 uM | |
5 | DTT | natural abundance | 1 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 1 mM | |
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 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hs356_22_132 | [U-13C; U-15N] | 0.5 mM | |
2 | mops | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 450 mM | |
4 | ZnSO4 | natural abundance | 10 uM | |
5 | DTT | natural abundance | 1 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 1 mM | |
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 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hs356_22_132 | [U-13C; U-15N] | 0.5 mM | |
2 | mops | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 450 mM | |
4 | ZnSO4 | natural abundance | 10 uM | |
5 | DTT | natural abundance | 1 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 1 mM | |
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 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hs356_22_132 | [U-13C; U-15N] | 0.5 mM | |
2 | mops | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 450 mM | |
4 | ZnSO4 | natural abundance | 10 uM | |
5 | DTT | natural abundance | 1 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 1 mM | |
8 | H2O | natural abundance | 90 % | |
9 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_18560_2lva.nef |
Input source #2: Coordindates | 2lva.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-------100--- MHHHHHHSSGRENLYFQGQMLLNQLREITGIQDPSFLHEALKASNGDITQAVSLLTDERVKEPSQDTVATEPSEVEGSAANKEVLAKVIDLTHDNKDDLQ |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MHHHHHHSSGRENLYFQGQMLLNQLREITGIQDPSFLHEALKASNGDITQAVSLLTDERVKEPSQDTVATEPSEVEGSAANKEVLAKVIDLTHDNKDDLQ --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 ----110-------120-------130-- AAIALSLLESPKIQADGRDLNRMHEATSA ||||||||||||||||||||||||||||| AAIALSLLESPKIQADGRDLNRMHEATSA -------110-------120---------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 129 | 0 | 0 | 100.0 |
Content subtype: combined_18560_2lva.nef
Assigned chemical shifts
-----10--------20--------30--------40--------50--------60--------70--------80--------90-------100--- MHHHHHHSSGRENLYFQGQMLLNQLREITGIQDPSFLHEALKASNGDITQAVSLLTDERVKEPSQDTVATEPSEVEGSAANKEVLAKVIDLTHDNKDDLQ |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..................QMLLNQLREITGIQDPSFLHEALKASNGDITQAVSLLTDERVKEPSQDTVATEPSEVEGSAANKEVLAKVIDLTHDNKDDLQ ----110-------120-------130-- AAIALSLLESPKIQADGRDLNRMHEATSA ||||||||||||||||||||||||||||| AAIALSLLESPKIQADGRDLNRMHEATSA
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 746 | 592 | 79.4 |
13C chemical shifts | 556 | 424 | 76.3 |
15N chemical shifts | 144 | 113 | 78.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 260 | 220 | 84.6 |
13C chemical shifts | 258 | 209 | 81.0 |
15N chemical shifts | 125 | 102 | 81.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 486 | 372 | 76.5 |
13C chemical shifts | 298 | 215 | 72.1 |
15N chemical shifts | 19 | 11 | 57.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 77 | 57 | 74.0 |
13C chemical shifts | 77 | 57 | 74.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 32 | 6 | 18.8 |
13C chemical shifts | 32 | 2 | 6.2 |
Distance restraints
-----10--------20--------30--------40--------50--------60--------70--------80--------90-------100--- MHHHHHHSSGRENLYFQGQMLLNQLREITGIQDPSFLHEALKASNGDITQAVSLLTDERVKEPSQDTVATEPSEVEGSAANKEVLAKVIDLTHDNKDDLQ |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..................QMLLNQLREITGIQDPSFLHEALKASNGDITQAVSLLTDERVKEPSQDTVATEPSEVEGSAANKEVLAKVIDLTHDNKDDLQ ----110-------120-------130-- AAIALSLLESPKIQADGRDLNRMHEATSA ||||||||||||||||||||||| ||||| AAIALSLLESPKIQADGRDLNRM.EATSA
Dihedral angle restraints