Solution structures of KmAtg10
SMLTLPEYNE QIPNVRSLLT KWAKVERIQD VQDGLQLDVR LKTDTLLELH IYYDHVYHVP SIKFRLWSLD TEEDISSLRL LTLSDSELRS ILNLGTFSVT LSTDMEMKSV YYYINNCDTD ANVGSDVEHY LTRWISLYIR IFDLNFVP
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 97.3 % (1738 of 1786) | 99.1 % (910 of 918) | 94.8 % (673 of 710) | 98.1 % (155 of 158) |
Backbone | 98.4 % (866 of 880) | 99.0 % (292 of 295) | 98.2 % (433 of 441) | 97.9 % (141 of 144) |
Sidechain | 96.8 % (1017 of 1051) | 99.2 % (618 of 623) | 93.0 % (385 of 414) | 100.0 % (14 of 14) |
Aromatic | 84.1 % (138 of 164) | 100.0 % (82 of 82) | 67.1 % (53 of 79) | 100.0 % (3 of 3) |
Methyl | 100.0 % (202 of 202) | 100.0 % (101 of 101) | 100.0 % (101 of 101) |
1. entity
SMLTLPEYNE QIPNVRSLLT KWAKVERIQD VQDGLQLDVR LKTDTLLELH IYYDHVYHVP SIKFRLWSLD TEEDISSLRL LTLSDSELRS ILNLGTFSVT LSTDMEMKSV YYYINNCDTD ANVGSDVEHY LTRWISLYIR IFDLNFVPSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | KmAtg10 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 5 mM | |
5 | H20 | natural abundance | 90 % | |
6 | D20 | 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 |
Agilent Unity 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 | KmAtg10 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 5 mM | |
5 | H20 | natural abundance | 90 % | |
6 | D20 | natural abundance | 10 % |
Agilent Unity 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 | KmAtg10 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 5 mM | |
5 | H20 | natural abundance | 90 % | |
6 | D20 | natural abundance | 10 % |
Agilent Unity 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 | KmAtg10 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 5 mM | |
5 | H20 | natural abundance | 90 % | |
6 | D20 | natural abundance | 10 % |
Agilent Unity 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 | KmAtg10 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 5 mM | |
5 | H20 | natural abundance | 90 % | |
6 | D20 | natural abundance | 10 % |
Agilent Unity 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 | KmAtg10 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 5 mM | |
5 | H20 | natural abundance | 90 % | |
6 | D20 | natural abundance | 10 % |
Agilent Unity 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 | KmAtg10 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 5 mM | |
5 | H20 | natural abundance | 90 % | |
6 | D20 | natural abundance | 10 % |
Agilent Unity 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 | KmAtg10 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 5 mM | |
5 | H20 | natural abundance | 90 % | |
6 | D20 | natural abundance | 10 % |
Agilent Unity 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 | KmAtg10 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 5 mM | |
5 | H20 | natural abundance | 90 % | |
6 | D20 | natural abundance | 10 % |
Agilent Unity 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 | KmAtg10 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 5 mM | |
5 | H20 | natural abundance | 90 % | |
6 | D20 | natural abundance | 10 % |
Agilent Unity 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 | KmAtg10 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 5 mM | |
5 | H20 | natural abundance | 90 % | |
6 | D20 | natural abundance | 10 % |
Agilent Unity 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 | KmAtg10 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 5 mM | |
5 | H20 | natural abundance | 90 % | |
6 | D20 | natural abundance | 10 % |
Agilent Unity 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 | KmAtg10 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 5 mM | |
5 | H20 | natural abundance | 90 % | |
6 | D20 | natural abundance | 10 % |
Agilent Unity 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 | KmAtg10 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 5 mM | |
5 | H20 | natural abundance | 90 % | |
6 | D20 | natural abundance | 10 % |
Agilent Unity 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 | KmAtg10 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 5 mM | |
5 | H20 | natural abundance | 90 % | |
6 | D20 | natural abundance | 10 % |
Agilent Unity 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 | KmAtg10 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 5 mM | |
5 | H20 | natural abundance | 90 % | |
6 | D20 | natural abundance | 10 % |
Agilent Unity 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 | KmAtg10 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 5 mM | |
5 | H20 | natural abundance | 90 % | |
6 | D20 | natural abundance | 10 % |
Agilent Unity 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 | KmAtg10 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 5 mM | |
5 | H20 | natural abundance | 90 % | |
6 | D20 | natural abundance | 10 % |
Agilent Unity 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 | KmAtg10 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 5 mM | |
5 | H20 | natural abundance | 90 % | |
6 | D20 | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_18277_2lpu.nef |
Input source #2: Coordindates | 2lpu.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----- GPLPSMLTLPEYNEQIPNVRSLLTKWAKVERIQDVQDGLQLDVRLKTDTLLELHIYYDHVYHVPSIKFRLWSLDTEEDISSLRLLTLSDSELRSILNLGT |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GPLPSMLTLPEYNEQIPNVRSLLTKWAKVERIQDVQDGLQLDVRLKTDTLLELHIYYDHVYHVPSIKFRLWSLDTEEDISSLRLLTLSDSELRSILNLGT --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 --100-------110-------120-------130-------140------- FSVTLSTDMEMKSVYYYINNCDTDANVGSDVEHYLTRWISLYIRIFDLNFVP |||||||||||||||||||||||||||||||||||||||||||||||||||| FSVTLSTDMEMKSVYYYINNCDTDANVGSDVEHYLTRWISLYIRIFDLNFVP -------110-------120-------130-------140-------150--
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 152 | 0 | 0 | 100.0 |
Content subtype: combined_18277_2lpu.nef
Assigned chemical shifts
-------------10--------20--------30--------40--------50--------60--------70--------80--------90----- GPLPSMLTLPEYNEQIPNVRSLLTKWAKVERIQDVQDGLQLDVRLKTDTLLELHIYYDHVYHVPSIKFRLWSLDTEEDISSLRLLTLSDSELRSILNLGT |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ....SMLTLPEYNEQIPNVRSLLTKWAKVERIQDVQDGLQLDVRLKTDTLLELHIYYDHVYHVPSIKFRLWSLDTEEDISSLRLLTLSDSELRSILNLGT --100-------110-------120-------130-------140------- FSVTLSTDMEMKSVYYYINNCDTDANVGSDVEHYLTRWISLYIRIFDLNFVP |||||||||||||||||||||||||||||||||||||||||||||||||||| FSVTLSTDMEMKSVYYYINNCDTDANVGSDVEHYLTRWISLYIRIFDLNFVP
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
8 | ASN | CG | 175.01 |
10 | GLN | CD | 179.569 |
15 | ARG | CZ | 159.866 |
28 | GLN | CD | 180.139 |
31 | GLN | CD | 180.192 |
35 | GLN | CD | 178.756 |
39 | ARG | CZ | 159.65 |
64 | ARG | CZ | 159.636 |
78 | ARG | CZ | 159.515 |
88 | ARG | CZ | 159.259 |
92 | ASN | CG | 178.094 |
114 | ASN | CG | 176.471 |
115 | ASN | CG | 175.882 |
121 | ASN | CG | 175.845 |
139 | ARG | CZ | 159.552 |
144 | ASN | CG | 177.347 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 942 | 909 | 96.5 |
13C chemical shifts | 728 | 672 | 92.3 |
15N chemical shifts | 168 | 162 | 96.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 302 | 292 | 96.7 |
13C chemical shifts | 304 | 288 | 94.7 |
15N chemical shifts | 146 | 141 | 96.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 640 | 617 | 96.4 |
13C chemical shifts | 424 | 384 | 90.6 |
15N chemical shifts | 22 | 21 | 95.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 106 | 101 | 95.3 |
13C chemical shifts | 106 | 101 | 95.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 82 | 82 | 100.0 |
13C chemical shifts | 79 | 53 | 67.1 |
15N chemical shifts | 3 | 3 | 100.0 |
Distance restraints
-------------10--------20--------30--------40--------50--------60--------70--------80--------90----- GPLPSMLTLPEYNEQIPNVRSLLTKWAKVERIQDVQDGLQLDVRLKTDTLLELHIYYDHVYHVPSIKFRLWSLDTEEDISSLRLLTLSDSELRSILNLGT ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .....MLTLPEYNEQIPNVRSLLTKWAKVERIQDVQDGLQLDVRLKTDTLLELHIYYDHVYHVPSIKFRLWSLDTEEDISSLRLLTLSDSELRSILNLGT --100-------110-------120-------130-------140------- FSVTLSTDMEMKSVYYYINNCDTDANVGSDVEHYLTRWISLYIRIFDLNFVP |||||||||||||||||||||||||||||||||||||||||||||||||||| FSVTLSTDMEMKSVYYYINNCDTDANVGSDVEHYLTRWISLYIRIFDLNFVP
Dihedral angle restraints
-------------10--------20--------30--------40--------50--------60--------70--------80--------90----- GPLPSMLTLPEYNEQIPNVRSLLTKWAKVERIQDVQDGLQLDVRLKTDTLLELHIYYDHVYHVPSIKFRLWSLDTEEDISSLRLLTLSDSELRSILNLGT ||||||||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||||||||||| ||||||||||||||||||| .....MLTLPEYNEQIPNVRSLLTKWAKVERIQDVQ.GLQLDVRLKTDTLLELHIYYDHVYHVPSIKFRLWSLDTEED...LRLLTLSDSELRSILNLGT --100-------110-------120-------130-------140------- FSVTLSTDMEMKSVYYYINNCDTDANVGSDVEHYLTRWISLYIRIFDLNFVP |||||||||| |||||||||||||||| ||||||||||||||||||||||| FSVTLSTDME..SVYYYINNCDTDANVG.DVEHYLTRWISLYIRIFDLNFVP