Regnase-1 N-terminal domain
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 88.9 % (505 of 568) | 87.4 % (257 of 294) | 89.2 % (198 of 222) | 96.2 % (50 of 52) |
Backbone | 89.0 % (260 of 292) | 86.3 % (88 of 102) | 88.7 % (126 of 142) | 95.8 % (46 of 48) |
Sidechain | 88.7 % (284 of 320) | 88.0 % (169 of 192) | 89.5 % (111 of 124) | 100.0 % (4 of 4) |
Aromatic | 90.0 % (36 of 40) | 90.0 % (18 of 20) | 90.0 % (18 of 20) | |
Methyl | 85.7 % (48 of 56) | 78.6 % (22 of 28) | 92.9 % (26 of 28) |
1. Reg1 NTD
GPHMTSELQM KVDFFRKLGY SSSEIHSVLQ KLGVQADTNT VLGELVKHGSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Reg1_NTD | [U-99% 13C; U-99% 15N] | protein | 1.1 mM |
2 | DSS | natural abundance | 5 ug | |
3 | D2O | [U-2H] | solvent | 10 % v/v |
4 | HEPES | natural abundance | buffer | 20 mM |
5 | sodium chloride | natural abundance | salt | 150 mM |
6 | H2O | natural abundance | solvent | 90 % v/v |
Agilent INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Reg1_NTD | [U-99% 13C; U-99% 15N] | protein | 1.1 mM |
2 | DSS | natural abundance | 5 ug | |
3 | D2O | [U-2H] | solvent | 10 % v/v |
4 | HEPES | natural abundance | buffer | 20 mM |
5 | sodium chloride | natural abundance | salt | 150 mM |
6 | H2O | natural abundance | solvent | 90 % v/v |
Agilent INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Reg1_NTD | [U-99% 13C; U-99% 15N] | protein | 1.1 mM |
2 | DSS | natural abundance | 5 ug | |
3 | D2O | [U-2H] | solvent | 10 % v/v |
4 | HEPES | natural abundance | buffer | 20 mM |
5 | sodium chloride | natural abundance | salt | 150 mM |
6 | H2O | natural abundance | solvent | 90 % v/v |
Agilent INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Reg1_NTD | [U-99% 13C; U-99% 15N] | protein | 1.1 mM |
2 | DSS | natural abundance | 5 ug | |
3 | D2O | [U-2H] | solvent | 10 % v/v |
4 | HEPES | natural abundance | buffer | 20 mM |
5 | sodium chloride | natural abundance | salt | 150 mM |
6 | H2O | natural abundance | solvent | 90 % v/v |
Agilent INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Reg1_NTD | [U-99% 13C; U-99% 15N] | protein | 1.1 mM |
2 | DSS | natural abundance | 5 ug | |
3 | D2O | [U-2H] | solvent | 10 % v/v |
4 | HEPES | natural abundance | buffer | 20 mM |
5 | sodium chloride | natural abundance | salt | 150 mM |
6 | H2O | natural abundance | solvent | 90 % v/v |
Agilent INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Reg1_NTD | [U-99% 13C; U-99% 15N] | protein | 1.1 mM |
2 | DSS | natural abundance | 5 ug | |
3 | D2O | [U-2H] | solvent | 10 % v/v |
4 | HEPES | natural abundance | buffer | 20 mM |
5 | sodium chloride | natural abundance | salt | 150 mM |
6 | H2O | natural abundance | solvent | 90 % v/v |
Agilent INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Reg1_NTD | [U-99% 13C; U-99% 15N] | protein | 1.1 mM |
2 | DSS | natural abundance | 5 ug | |
3 | D2O | [U-2H] | solvent | 10 % v/v |
4 | HEPES | natural abundance | buffer | 20 mM |
5 | sodium chloride | natural abundance | salt | 150 mM |
6 | H2O | natural abundance | solvent | 90 % v/v |
Agilent INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Reg1_NTD | [U-99% 13C; U-99% 15N] | protein | 1.1 mM |
2 | DSS | natural abundance | 5 ug | |
3 | D2O | [U-2H] | solvent | 10 % v/v |
4 | HEPES | natural abundance | buffer | 20 mM |
5 | sodium chloride | natural abundance | salt | 150 mM |
6 | H2O | natural abundance | solvent | 90 % v/v |
Agilent INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Reg1_NTD | [U-99% 13C; U-99% 15N] | protein | 1.1 mM |
2 | DSS | natural abundance | 5 ug | |
3 | D2O | [U-2H] | solvent | 10 % v/v |
4 | HEPES | natural abundance | buffer | 20 mM |
5 | sodium chloride | natural abundance | salt | 150 mM |
6 | H2O | natural abundance | solvent | 90 % v/v |
Agilent INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Reg1_NTD | [U-99% 13C; U-99% 15N] | protein | 1.1 mM |
2 | DSS | natural abundance | 5 ug | |
3 | D2O | [U-2H] | solvent | 10 % v/v |
4 | HEPES | natural abundance | buffer | 20 mM |
5 | sodium chloride | natural abundance | salt | 150 mM |
6 | H2O | natural abundance | solvent | 90 % v/v |
Agilent INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Reg1_NTD | [U-99% 13C; U-99% 15N] | protein | 1.1 mM |
2 | DSS | natural abundance | 5 ug | |
3 | D2O | [U-2H] | solvent | 10 % v/v |
4 | HEPES | natural abundance | buffer | 20 mM |
5 | sodium chloride | natural abundance | salt | 150 mM |
6 | H2O | natural abundance | solvent | 90 % v/v |
Agilent INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Reg1_NTD | [U-99% 13C; U-99% 15N] | protein | 1.1 mM |
2 | DSS | natural abundance | 5 ug | |
3 | D2O | [U-2H] | solvent | 10 % v/v |
4 | HEPES | natural abundance | buffer | 20 mM |
5 | sodium chloride | natural abundance | salt | 150 mM |
6 | H2O | natural abundance | solvent | 90 % v/v |
Agilent INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Reg1_NTD | [U-99% 13C; U-99% 15N] | protein | 1.1 mM |
2 | DSS | natural abundance | 5 ug | |
3 | D2O | [U-2H] | solvent | 10 % v/v |
4 | HEPES | natural abundance | buffer | 20 mM |
5 | sodium chloride | natural abundance | salt | 150 mM |
6 | H2O | natural abundance | solvent | 90 % v/v |
Agilent INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Reg1_NTD | [U-99% 13C; U-99% 15N] | protein | 1.1 mM |
2 | DSS | natural abundance | 5 ug | |
3 | D2O | [U-2H] | solvent | 10 % v/v |
4 | HEPES | natural abundance | buffer | 20 mM |
5 | sodium chloride | natural abundance | salt | 150 mM |
6 | H2O | natural abundance | solvent | 90 % v/v |
Agilent INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Reg1_NTD | [U-99% 13C; U-99% 15N] | protein | 1.1 mM |
2 | DSS | natural abundance | 5 ug | |
3 | D2O | [U-2H] | solvent | 10 % v/v |
4 | HEPES | natural abundance | buffer | 20 mM |
5 | sodium chloride | natural abundance | salt | 150 mM |
6 | H2O | natural abundance | solvent | 90 % v/v |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_25718_2n5j.nef |
Input source #2: Coordindates | 2n5j.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
--------50--------60--------70--------80--------- GPHMTSELQMKVDFFRKLGYSSSEIHSVLQKLGVQADTNTVLGELVKHG ||||||||||||||||||||||||||||||||||||||||||||||||| GPHMTSELQMKVDFFRKLGYSSSEIHSVLQKLGVQADTNTVLGELVKHG --------10--------20--------30--------40---------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 49 | 0 | 0 | 100.0 |
Content subtype: combined_25718_2n5j.nef
Assigned chemical shifts
--------50--------60--------70--------80--------- GPHMTSELQMKVDFFRKLGYSSSEIHSVLQKLGVQADTNTVLGELVKHG ||||||||||||||||||||||||||||||||||||||||||||||| ..HMTSELQMKVDFFRKLGYSSSEIHSVLQKLGVQADTNTVLGELVKHG
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
49 | GLN | CD | 180.174 |
70 | GLN | CD | 180.223 |
75 | GLN | CD | 180.712 |
79 | ASN | CG | 176.329 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 294 | 278 | 94.6 |
13C chemical shifts | 222 | 210 | 94.6 |
15N chemical shifts | 53 | 50 | 94.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 102 | 96 | 94.1 |
13C chemical shifts | 98 | 93 | 94.9 |
15N chemical shifts | 48 | 46 | 95.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 192 | 182 | 94.8 |
13C chemical shifts | 124 | 117 | 94.4 |
15N chemical shifts | 5 | 4 | 80.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 30 | 29 | 96.7 |
13C chemical shifts | 30 | 29 | 96.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 20 | 18 | 90.0 |
13C chemical shifts | 20 | 18 | 90.0 |
Distance restraints
--------50--------60--------70--------80--------- GPHMTSELQMKVDFFRKLGYSSSEIHSVLQKLGVQADTNTVLGELVKHG |||||||||||||||||||||||||||||||||||||||||||||| ...MTSELQMKVDFFRKLGYSSSEIHSVLQKLGVQADTNTVLGELVKHG
Dihedral angle restraints
--------50--------60--------70--------80--------- GPHMTSELQMKVDFFRKLGYSSSEIHSVLQKLGVQADTNTVLGELVKHG |||||||||||||||||||||||||||||||||||||||||| .....SELQMKVDFFRKLGYSSSEIHSVLQKLGVQADTNTVLGELVK --------50--------60--------70--------80-------