solution structure of a protein C-terminal domain
SNAILATMNV PAGPAGGQQV DLASVLTPEI MAPILANADV QERLLPYLPS GESLPQTADE IQNTLTSPQF QQALGMFSAA LASGQLGPLM CQFGLPAEAV EAANKGDVEA FAKAMQNNAK PEQKEGDTKD KKDEEEDMSL D
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 97.6 % (1509 of 1546) | 97.3 % (782 of 804) | 98.0 % (581 of 593) | 98.0 % (146 of 149) |
Backbone | 97.9 % (807 of 824) | 97.2 % (273 of 281) | 98.5 % (407 of 413) | 97.7 % (127 of 130) |
Sidechain | 97.4 % (831 of 853) | 97.3 % (509 of 523) | 97.4 % (303 of 311) | 100.0 % (19 of 19) |
Aromatic | 95.8 % (46 of 48) | 95.8 % (23 of 24) | 95.8 % (23 of 24) | |
Methyl | 98.7 % (152 of 154) | 98.7 % (76 of 77) | 98.7 % (76 of 77) |
1. entity
SNAILATMNV PAGPAGGQQV DLASVLTPEI MAPILANADV QERLLPYLPS GESLPQTADE IQNTLTSPQF QQALGMFSAA LASGQLGPLM CQFGLPAEAV EAANKGDVEA FAKAMQNNAK PEQKEGDTKD KKDEEEDMSL DSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 0.5 ~ 1.0 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | potassium chloride | natural abundance | 20 mM | |
4 | DSS | natural abundance | 0.02 % | |
5 | H2O | natural abundance | 90 % | |
6 | 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 DMX - 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 | entity | [U-13C; U-15N] | 0.5 ~ 1.0 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | potassium chloride | natural abundance | 20 mM | |
4 | DSS | natural abundance | 0.02 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 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 | entity | [U-13C; U-15N] | 0.5 ~ 1.0 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | potassium chloride | natural abundance | 20 mM | |
4 | DSS | natural abundance | 0.02 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 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 | entity | [U-13C; U-15N] | 0.5 ~ 1.0 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | potassium chloride | natural abundance | 20 mM | |
4 | DSS | natural abundance | 0.02 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 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 | entity | [U-13C; U-15N] | 0.5 ~ 1.0 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | potassium chloride | natural abundance | 20 mM | |
4 | DSS | natural abundance | 0.02 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 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 | entity | [U-13C; U-15N] | 0.5 ~ 1.0 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | potassium chloride | natural abundance | 20 mM | |
4 | DSS | natural abundance | 0.02 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 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 | entity | [U-13C; U-15N] | 0.5 ~ 1.0 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | potassium chloride | natural abundance | 20 mM | |
4 | DSS | natural abundance | 0.02 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 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 | entity | [U-13C; U-15N] | 0.5 ~ 1.0 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | potassium chloride | natural abundance | 20 mM | |
4 | DSS | natural abundance | 0.02 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 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 | entity | [U-13C; U-15N] | 0.5 ~ 1.0 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | potassium chloride | natural abundance | 20 mM | |
4 | DSS | natural abundance | 0.02 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 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 | entity | [U-13C; U-15N] | 0.5 ~ 1.0 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | potassium chloride | natural abundance | 20 mM | |
4 | DSS | natural abundance | 0.02 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 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 | entity | [U-13C; U-15N] | 0.5 ~ 1.0 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | potassium chloride | natural abundance | 20 mM | |
4 | DSS | natural abundance | 0.02 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 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 | entity | [U-13C; U-15N] | 0.5 ~ 1.0 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | potassium chloride | natural abundance | 20 mM | |
4 | DSS | natural abundance | 0.02 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 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 | entity | [U-13C; U-15N] | 0.5 ~ 1.0 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | potassium chloride | natural abundance | 20 mM | |
4 | DSS | natural abundance | 0.02 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 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 | entity | [U-13C; U-15N] | 0.5 ~ 1.0 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | potassium chloride | natural abundance | 20 mM | |
4 | DSS | natural abundance | 0.02 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 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 | entity | [U-13C; U-15N] | 0.5 ~ 1.0 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | potassium chloride | natural abundance | 20 mM | |
4 | DSS | natural abundance | 0.02 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_19801_2mkz.nef |
Input source #2: Coordindates | 2mkz.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 SNAILATMNVPAGPAGGQQVDLASVLTPEIMAPILANADVQERLLPYLPSGESLPQTADEIQNTLTSPQFQQALGMFSAALASGQLGPLMCQFGLPAEAV |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| SNAILATMNVPAGPAGGQQVDLASVLTPEIMAPILANADVQERLLPYLPSGESLPQTADEIQNTLTSPQFQQALGMFSAALASGQLGPLMCQFGLPAEAV -------110-------120-------130-------140- EAANKGDVEAFAKAMQNNAKPEQKEGDTKDKKDEEEDMSLD ||||||||||||||||||||||||||||||||||||||||| EAANKGDVEAFAKAMQNNAKPEQKEGDTKDKKDEEEDMSLD
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 141 | 0 | 0 | 100.0 |
Content subtype: combined_19801_2mkz.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 SNAILATMNVPAGPAGGQQVDLASVLTPEIMAPILANADVQERLLPYLPSGESLPQTADEIQNTLTSPQFQQALGMFSAALASGQLGPLMCQFGLPAEAV |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||| .NAILATMNVPAGPAGGQQVDLASVLTPEIMAPILANADVQERLLPYLPSGESLPQTADEIQNTL..PQFQQALGMFSAALASGQLGPLMCQFGLPAEAV -------110-------120-------130-------140- EAANKGDVEAFAKAMQNNAKPEQKEGDTKDKKDEEEDMSLD ||||||||||||||||||||||||||||||||||||||||| EAANKGDVEAFAKAMQNNAKPEQKEGDTKDKKDEEEDMSLD
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 804 | 782 | 97.3 |
13C chemical shifts | 593 | 577 | 97.3 |
15N chemical shifts | 150 | 146 | 97.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 281 | 274 | 97.5 |
13C chemical shifts | 282 | 276 | 97.9 |
15N chemical shifts | 130 | 126 | 96.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 523 | 508 | 97.1 |
13C chemical shifts | 311 | 301 | 96.8 |
15N chemical shifts | 20 | 20 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 83 | 80 | 96.4 |
13C chemical shifts | 83 | 80 | 96.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 24 | 23 | 95.8 |
13C chemical shifts | 24 | 23 | 95.8 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 SNAILATMNVPAGPAGGQQVDLASVLTPEIMAPILANADVQERLLPYLPSGESLPQTADEIQNTLTSPQFQQALGMFSAALASGQLGPLMCQFGLPAEAV |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||| .NAILATMNVPAGPAGGQQVDLASVLTPEIMAPILANADVQERLLPYLPSGESLPQTADEIQNTL..PQFQQALGMFSAALASGQLGPLMCQFGLPAEAV -------110-------120-------130-------140- EAANKGDVEAFAKAMQNNAKPEQKEGDTKDKKDEEEDMSLD ||||||||||||||||||||||||||||||||||||||||| EAANKGDVEAFAKAMQNNAKPEQKEGDTKDKKDEEEDMSLD
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 SNAILATMNVPAGPAGGQQVDLASVLTPEIMAPILANADVQERLLPYLPSGESLPQTADEIQNTLTSPQFQQALGMFSAALASGQLGPLMCQFGLPAEAV |||||||||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||| ...................VDLASVLTPEIMAPILANADVQERLLPYLPSGESLPQTADEIQNTL.SPQFQQALGMFSAALASGQLGPLMCQFGLPAEAV --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140- EAANKGDVEAFAKAMQNNAKPEQKEGDTKDKKDEEEDMSLD ||||||||||||||||| EAANKGDVEAFAKAMQN -------110-------