Backbone 1H, 13C, and 15N Chemical Shift Assignments for high mobility group protein-like protein NHP1 from Babesia bovis T2Bo. Seattle Structure Genomics Center for Infectious Disease (SSGCID)
MAGASDRTGV RRPRKAKKDP NAPKRALSSY MFFAKEKRVE IIAENPEIAK DVAAIGKMIG AAWNALSDEE KKPYERMSDE DRVRYEREKA EYAQRKV
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 82.1 % (943 of 1148) | 76.0 % (466 of 613) | 88.4 % (387 of 438) | 92.8 % (90 of 97) |
Backbone | 93.2 % (533 of 572) | 91.2 % (176 of 193) | 94.8 % (272 of 287) | 92.4 % (85 of 92) |
Sidechain | 72.8 % (487 of 669) | 67.6 % (284 of 420) | 81.1 % (198 of 244) | 100.0 % (5 of 5) |
Aromatic | 35.9 % (23 of 64) | 68.8 % (22 of 32) | 0.0 % (0 of 31) | 100.0 % (1 of 1) |
Methyl | 98.8 % (79 of 80) | 97.5 % (39 of 40) | 100.0 % (40 of 40) |
1. high mobility group protein-like protein NHP1
MAGASDRTGV RRPRKAKKDP NAPKRALSSY MFFAKEKRVE IIAENPEIAK DVAAIGKMIG AAWNALSDEE KKPYERMSDE DRVRYEREKA EYAQRKVSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | high mobility group protein-like protein NHP1 | [U-98% 13C; U-98% 15N] | 1.2 mM | |
2 | H2O | natural abundance | 90 % | |
3 | 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 AMX - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | high mobility group protein-like protein NHP1 | [U-98% 13C; U-98% 15N] | 1.2 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Bruker AMX - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | high mobility group protein-like protein NHP1 | [U-98% 13C; U-98% 15N] | 1.2 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
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 | high mobility group protein-like protein NHP1 | [U-98% 13C; U-98% 15N] | 1.2 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
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 | high mobility group protein-like protein NHP1 | [U-98% 13C; U-98% 15N] | 1.2 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
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 | high mobility group protein-like protein NHP1 | [U-98% 13C; U-98% 15N] | 1.2 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
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 | high mobility group protein-like protein NHP1 | [U-98% 13C; U-98% 15N] | 1.2 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
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 | high mobility group protein-like protein NHP1 | [U-98% 13C; U-98% 15N] | 1.2 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Bruker AMX - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | high mobility group protein-like protein NHP1 | [U-98% 13C; U-98% 15N] | 1.2 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
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 | high mobility group protein-like protein NHP1 | [U-98% 13C; U-98% 15N] | 1.2 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
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 | high mobility group protein-like protein NHP1 | [U-98% 13C; U-98% 15N] | 1.2 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_17855_2lhj.nef |
Input source #2: Coordindates | 2lhj.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------- MAGASDRTGVRRPRKAKKDPNAPKRALSSYMFFAKEKRVEIIAENPEIAKDVAAIGKMIGAAWNALSDEEKKPYERMSDEDRVRYEREKAEYAQRKV ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MAGASDRTGVRRPRKAKKDPNAPKRALSSYMFFAKEKRVEIIAENPEIAKDVAAIGKMIGAAWNALSDEEKKPYERMSDEDRVRYEREKAEYAQRKV
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 97 | 0 | 0 | 100.0 |
Content subtype: combined_17855_2lhj.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90------- MAGASDRTGVRRPRKAKKDPNAPKRALSSYMFFAKEKRVEIIAENPEIAKDVAAIGKMIGAAWNALSDEEKKPYERMSDEDRVRYEREKAEYAQRKV |||||||||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| |||||| |||||||||||||||| MAGASDRTGVRR.RKAKKDPNAPKRALSSYMFFAKEKRVEIIAENPEIAKDVAAIGKMIGAAWNALSDEEKK..ERMSDE.RVRYEREKAEYAQRKV
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
21 | ASN | CG | 177.287 |
45 | ASN | CG | 178.294 |
64 | ASN | CG | 176.438 |
94 | GLN | CD | 180.306 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 613 | 462 | 75.4 |
13C chemical shifts | 438 | 382 | 87.2 |
15N chemical shifts | 108 | 89 | 82.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 193 | 178 | 92.2 |
13C chemical shifts | 194 | 182 | 93.8 |
15N chemical shifts | 92 | 84 | 91.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 420 | 284 | 67.6 |
13C chemical shifts | 244 | 200 | 82.0 |
15N chemical shifts | 16 | 5 | 31.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 44 | 41 | 93.2 |
13C chemical shifts | 44 | 44 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 32 | 22 | 68.8 |
13C chemical shifts | 31 | 0 | 0.0 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90------- MAGASDRTGVRRPRKAKKDPNAPKRALSSYMFFAKEKRVEIIAENPEIAKDVAAIGKMIGAAWNALSDEEKKPYERMSDEDRVRYEREKAEYAQRKV ||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||| |||||| |||||||||||||||| .AGASDRTGVRR..KAKKDPNAPKRALSSYMFFAKEKRVEIIAENPEIAKDVAAIGKMIGAAWNALSDEEKK..ERMSDE.RVRYEREKAEYAQRKV
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90------- MAGASDRTGVRRPRKAKKDPNAPKRALSSYMFFAKEKRVEIIAENPEIAKDVAAIGKMIGAAWNALSDEEKKPYERMSDEDRVRYEREKAEYAQRKV ||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ....SDR..VRRPRKAKKDPNAPKRALSSYMFFAKEKRVEIIAENPEIAKDVAAIGKMIGAAWNALSDEEKKPYERMSDEDRVRYEREKAEYAQRKV
--------10--------20--------30--------40--------50--------60--------70--------80--------90------- MAGASDRTGVRRPRKAKKDPNAPKRALSSYMFFAKEKRVEIIAENPEIAKDVAAIGKMIGAAWNALSDEEKKPYERMSDEDRVRYEREKAEYAQRKV | |||| ||| || ||| | || ||||||| |||||||| || || ||| | ||| || ||||||| |||||||||||||||| || |||| M...SDRT.VRR.RK.KKD.N..KR.LSSYMFF.KEKRVEII.EN.EI.KDV..I.KMI...WN.LSDEEKK.YERMSDEDRVRYEREK.EY.QRKV