NMR solution structure of Cbp2
MPSVNDSLDI VEKLYKDGVP VKEIAKRSNN SMSTVYKALE KLEAMGRIKR RKGRYRQHRR LTEEELATIR ELYLKGATVY EIARQLGRPE STIYYALKKL GLKLE
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 75.9 % (975 of 1284) | 70.9 % (483 of 681) | 80.4 % (399 of 496) | 86.9 % (93 of 107) |
Backbone | 89.4 % (558 of 624) | 86.9 % (185 of 213) | 90.6 % (280 of 309) | 91.2 % (93 of 102) |
Sidechain | 66.5 % (505 of 759) | 63.7 % (298 of 468) | 72.4 % (207 of 286) | 0.0 % (0 of 5) |
Aromatic | 33.3 % (20 of 60) | 40.0 % (12 of 30) | 26.7 % (8 of 30) | |
Methyl | 86.3 % (107 of 124) | 90.3 % (56 of 62) | 82.3 % (51 of 62) |
1. Cbp2
MPSVNDSLDI VEKLYKDGVP VKEIAKRSNN SMSTVYKALE KLEAMGRIKR RKGRYRQHRR LTEEELATIR ELYLKGATVY EIARQLGRPE STIYYALKKL GLKLESolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Cbp2 | [U-100% 13C; U-100% 15N] | 0.5-1 mM | |
2 | potassium chloride | none | 10 mM | |
3 | potassium dihydrogen phosphate | none | 20 mM | |
4 | sodium azide | none | 0.02 % |
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 |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Cbp2 | [U-100% 13C; U-100% 15N] | 0.5-1 mM | |
2 | potassium chloride | none | 10 mM | |
3 | potassium dihydrogen phosphate | none | 20 mM | |
4 | sodium azide | none | 0.02 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Cbp2 | [U-100% 13C; U-100% 15N] | 0.5-1 mM | |
2 | potassium chloride | none | 10 mM | |
3 | potassium dihydrogen phosphate | none | 20 mM | |
4 | sodium azide | none | 0.02 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Cbp2 | [U-100% 13C; U-100% 15N] | 0.5-1 mM | |
2 | potassium chloride | none | 10 mM | |
3 | potassium dihydrogen phosphate | none | 20 mM | |
4 | sodium azide | none | 0.02 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Cbp2 | [U-100% 13C; U-100% 15N] | 0.5-1 mM | |
2 | potassium chloride | none | 10 mM | |
3 | potassium dihydrogen phosphate | none | 20 mM | |
4 | sodium azide | none | 0.02 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Cbp2 | [U-100% 13C; U-100% 15N] | 0.5-1 mM | |
2 | potassium chloride | none | 10 mM | |
3 | potassium dihydrogen phosphate | none | 20 mM | |
4 | sodium azide | none | 0.02 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Cbp2 | [U-100% 13C; U-100% 15N] | 0.5-1 mM | |
2 | potassium chloride | none | 10 mM | |
3 | potassium dihydrogen phosphate | none | 20 mM | |
4 | sodium azide | none | 0.02 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Cbp2 | [U-100% 13C; U-100% 15N] | 0.5-1 mM | |
2 | potassium chloride | none | 10 mM | |
3 | potassium dihydrogen phosphate | none | 20 mM | |
4 | sodium azide | none | 0.02 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Cbp2 | [U-100% 13C; U-100% 15N] | 0.5-1 mM | |
2 | potassium chloride | none | 10 mM | |
3 | potassium dihydrogen phosphate | none | 20 mM | |
4 | sodium azide | none | 0.02 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Cbp2 | [U-100% 13C; U-100% 15N] | 0.5-1 mM | |
2 | potassium chloride | none | 10 mM | |
3 | potassium dihydrogen phosphate | none | 20 mM | |
4 | sodium azide | none | 0.02 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Cbp2 | [U-100% 13C; U-100% 15N] | 0.5-1 mM | |
2 | potassium chloride | none | 10 mM | |
3 | potassium dihydrogen phosphate | none | 20 mM | |
4 | sodium azide | none | 0.02 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_18589_2lvs.nef |
Input source #2: Coordindates | 2lvs.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 MPSVNDSLDIVEKLYKDGVPVKEIAKRSNNSMSTVYKALEKLEAMGRIKRRKGRYRQHRRLTEEELATIRELYLKGATVYEIARQLGRPESTIYYALKKL |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MPSVNDSLDIVEKLYKDGVPVKEIAKRSNNSMSTVYKALEKLEAMGRIKRRKGRYRQHRRLTEEELATIRELYLKGATVYEIARQLGRPESTIYYALKKL ----- GLKLE ||||| GLKLE
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 105 | 0 | 0 | 100.0 |
Content subtype: combined_18589_2lvs.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MPSVNDSLDIVEKLYKDGVPVKEIAKRSNNSMSTVYKALEKLEAMGRIKRRKGRYRQHRRLTEEELATIRELYLKGATVYEIARQLGRPESTIYYALKKL |||||||||||||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||| ||||||||||| .PSVNDSLDIVEKLYKDGVPVKEIAKRSNNSMSTVYKALEKLEAMGRIKRR.........LTEEELATIRELYLKGATVYEIARQLGR.ESTIYYALKKL ----- GLKLE ||||| GLKLE
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 681 | 477 | 70.0 |
13C chemical shifts | 496 | 395 | 79.6 |
15N chemical shifts | 118 | 89 | 75.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 213 | 180 | 84.5 |
13C chemical shifts | 210 | 187 | 89.0 |
15N chemical shifts | 102 | 89 | 87.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 468 | 297 | 63.5 |
13C chemical shifts | 286 | 208 | 72.7 |
15N chemical shifts | 16 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 65 | 56 | 86.2 |
13C chemical shifts | 65 | 53 | 81.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 30 | 12 | 40.0 |
13C chemical shifts | 30 | 8 | 26.7 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MPSVNDSLDIVEKLYKDGVPVKEIAKRSNNSMSTVYKALEKLEAMGRIKRRKGRYRQHRRLTEEELATIRELYLKGATVYEIARQLGRPESTIYYALKKL ||||||||||||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||| |||||||||| .PSVNDSLDIVEKLYKDGVPVKEIAKRSNNSMSTVYKALEKLEAMGRIKR..........LTEEELATIRELYLKGATVYEIARQLGR..STIYYALKKL --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 ----- GLKLE |||| GLKL ----
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MPSVNDSLDIVEKLYKDGVPVKEIAKRSNNSMSTVYKALEKLEAMGRIKRRKGRYRQHRRLTEEELATIRELYLKGATVYEIARQLGRPESTIYYALKKL |||||||||||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||||| ..SVNDSLDIVEKLYKDGVPVKEIAKRSNNSMSTVYKALEKLEAMGRIKR..........LTEEELATIRELYLKGATVYEIARQLGRPESTIYYALKKL --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 ----- GLKLE || GL --