Solution NMR structure of Tubulin polymerization-promoting protein family member 3 from Homo sapiens. Northeast Structural Genomics target HR387.
MAASTDIAGL EESFRKFAIH GDPKASGQEM NGKNWAKLCK DCKVADGKSV TGTDVDIVFS KVKGKSARVI NYEEFKKALE ELATKRFKGK SKEEAFDAIC QLVAGKEPAN VGVTKAKTGG AVDRLTDTSR YTGSHKERFD ESGKGKGIAG RQDILDDSGY VSAYKNAGTY DAKVKKLEHH HHHH
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 89.7 % (1864 of 2077) | 86.7 % (938 of 1082) | 93.0 % (748 of 804) | 93.2 % (178 of 191) |
Backbone | 94.1 % (1035 of 1100) | 93.0 % (358 of 385) | 95.1 % (507 of 533) | 93.4 % (170 of 182) |
Sidechain | 86.3 % (986 of 1142) | 83.2 % (580 of 697) | 91.3 % (398 of 436) | 88.9 % (8 of 9) |
Aromatic | 74.0 % (114 of 154) | 74.0 % (57 of 77) | 73.7 % (56 of 76) | 100.0 % (1 of 1) |
Methyl | 98.8 % (166 of 168) | 97.6 % (82 of 84) | 100.0 % (84 of 84) |
1. hr387
MAASTDIAGL EESFRKFAIH GDPKASGQEM NGKNWAKLCK DCKVADGKSV TGTDVDIVFS KVKGKSARVI NYEEFKKALE ELATKRFKGK SKEEAFDAIC QLVAGKEPAN VGVTKAKTGG AVDRLTDTSR YTGSHKERFD ESGKGKGIAG RQDILDDSGY VSAYKNAGTY DAKVKKLEHH HHHHSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hr387 | [U-100% 13C; U-100% 15N] | 1.04 mM | |
2 | ammonium acetate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 10 mM | |
5 | calcium chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | 5 % |
Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | hr387 | [U-5% 13C; U-100% 15N] | 0.7 mM | |
10 | ammonium acetate | natural abundance | 20 mM | |
11 | calcium chloride | natural abundance | 100 mM | |
12 | DTT | natural abundance | 10 mM | |
13 | calcium chloride | natural abundance | 5 mM | |
14 | sodium azide | natural abundance | 0.02 % | |
15 | H2O | natural abundance | 95 % | |
16 | D2O | 5 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hr387 | [U-100% 13C; U-100% 15N] | 1.04 mM | |
2 | ammonium acetate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 10 mM | |
5 | calcium chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hr387 | [U-100% 13C; U-100% 15N] | 1.04 mM | |
2 | ammonium acetate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 10 mM | |
5 | calcium chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hr387 | [U-100% 13C; U-100% 15N] | 1.04 mM | |
2 | ammonium acetate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 10 mM | |
5 | calcium chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hr387 | [U-100% 13C; U-100% 15N] | 1.04 mM | |
2 | ammonium acetate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 10 mM | |
5 | calcium chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hr387 | [U-100% 13C; U-100% 15N] | 1.04 mM | |
2 | ammonium acetate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 10 mM | |
5 | calcium chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hr387 | [U-100% 13C; U-100% 15N] | 1.04 mM | |
2 | ammonium acetate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 10 mM | |
5 | calcium chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hr387 | [U-100% 13C; U-100% 15N] | 1.04 mM | |
2 | ammonium acetate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 10 mM | |
5 | calcium chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hr387 | [U-100% 13C; U-100% 15N] | 1.04 mM | |
2 | ammonium acetate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 10 mM | |
5 | calcium chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hr387 | [U-100% 13C; U-100% 15N] | 1.04 mM | |
2 | ammonium acetate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 10 mM | |
5 | calcium chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hr387 | [U-100% 13C; U-100% 15N] | 1.04 mM | |
2 | ammonium acetate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 10 mM | |
5 | calcium chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hr387 | [U-100% 13C; U-100% 15N] | 1.04 mM | |
2 | ammonium acetate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 10 mM | |
5 | calcium chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hr387 | [U-100% 13C; U-100% 15N] | 1.04 mM | |
2 | ammonium acetate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 10 mM | |
5 | calcium chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hr387 | [U-100% 13C; U-100% 15N] | 1.04 mM | |
2 | ammonium acetate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 10 mM | |
5 | calcium chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hr387 | [U-100% 13C; U-100% 15N] | 1.04 mM | |
2 | ammonium acetate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 10 mM | |
5 | calcium chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | hr387 | [U-100% 13C; U-100% 15N] | 1.04 mM | |
2 | ammonium acetate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 10 mM | |
5 | calcium chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | hr387 | [U-5% 13C; U-100% 15N] | 0.7 mM | |
10 | ammonium acetate | natural abundance | 20 mM | |
11 | calcium chloride | natural abundance | 100 mM | |
12 | DTT | natural abundance | 10 mM | |
13 | calcium chloride | natural abundance | 5 mM | |
14 | sodium azide | natural abundance | 0.02 % | |
15 | H2O | natural abundance | 95 % | |
16 | D2O | 5 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_15329_2jrf.nef |
Input source #2: Coordindates | 2jrf.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 MAASTDIAGLEESFRKFAIHGDPKASGQEMNGKNWAKLCKDCKVADGKSVTGTDVDIVFSKVKGKSARVINYEEFKKALEELATKRFKGKSKEEAFDAIC |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MAASTDIAGLEESFRKFAIHGDPKASGQEMNGKNWAKLCKDCKVADGKSVTGTDVDIVFSKVKGKSARVINYEEFKKALEELATKRFKGKSKEEAFDAIC -------110-------120-------130-------140-------150-------160-------170-------180---- QLVAGKEPANVGVTKAKTGGAVDRLTDTSRYTGSHKERFDESGKGKGIAGRQDILDDSGYVSAYKNAGTYDAKVKKLEHHHHHH |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| QLVAGKEPANVGVTKAKTGGAVDRLTDTSRYTGSHKERFDESGKGKGIAGRQDILDDSGYVSAYKNAGTYDAKVKKLEHHHHHH
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 184 | 0 | 0 | 100.0 |
Content subtype: combined_15329_2jrf.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MAASTDIAGLEESFRKFAIHGDPKASGQEMNGKNWAKLCKDCKVADGKSVTGTDVDIVFSKVKGKSARVINYEEFKKALEELATKRFKGKSKEEAFDAIC ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .AASTDIAGLEESFRKFAIHGDPKASGQEMNGKNWAKLCKDCKVADGKSVTGTDVDIVFSKVKGKSARVINYEEFKKALEELATKRFKGKSKEEAFDAIC --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150-------160-------170-------180---- QLVAGKEPANVGVTKAKTGGAVDRLTDTSRYTGSHKERFDESGKGKGIAGRQDILDDSGYVSAYKNAGTYDAKVKKLEHHHHHH ||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||||||||| QLVAGKEPANVGVTKAKTGGAVDRLTDTSRYTG.HKERFDESGKGKGIAGRQDILDDSGYVSAYKNAGTYDAKVKKLE -------110-------120-------130-------140-------150-------160-------170--------
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
13 | SER | HG | 6.314 |
28 | GLN | CD | 180.154 |
31 | ASN | CG | 175.147 |
34 | ASN | CG | 176.017 |
101 | GLN | CD | 180.077 |
110 | ASN | CG | 177.048 |
152 | GLN | CD | 180.495 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 1082 | 943 | 87.2 |
13C chemical shifts | 804 | 749 | 93.2 |
15N chemical shifts | 198 | 179 | 90.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 385 | 365 | 94.8 |
13C chemical shifts | 368 | 351 | 95.4 |
15N chemical shifts | 182 | 170 | 93.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 697 | 578 | 82.9 |
13C chemical shifts | 436 | 398 | 91.3 |
15N chemical shifts | 16 | 9 | 56.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 86 | 85 | 98.8 |
13C chemical shifts | 86 | 85 | 98.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 77 | 57 | 74.0 |
13C chemical shifts | 76 | 56 | 73.7 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MAASTDIAGLEESFRKFAIHGDPKASGQEMNGKNWAKLCKDCKVADGKSVTGTDVDIVFSKVKGKSARVINYEEFKKALEELATKRFKGKSKEEAFDAIC |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..ASTDIAGLEESFRKFAIHGDPKASGQEMNGKNWAKLCKDCKVADGKSVTGTDVDIVFSKVKGKSARVINYEEFKKALEELATKRFKGKSKEEAFDAIC --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150-------160-------170-------180---- QLVAGKEPANVGVTKAKTGGAVDRLTDTSRYTGSHKERFDESGKGKGIAGRQDILDDSGYVSAYKNAGTYDAKVKKLEHHHHHH ||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||||||||| QLVAGKEPANVGVTKAKTGGAVDRLTDTSRYTG.HKERFDESGKGKGIAGRQDILDDSGYVSAYKNAGTYDAKVKKLE -------110-------120-------130-------140-------150-------160-------170--------
Dihedral angle restraints