NMR spatial structure of mutant dimeric TM domain of VEGFR2 receptor
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 98.9 % (448 of 453) | 99.1 % (229 of 231) | 98.4 % (179 of 182) | 100.0 % (40 of 40) |
Backbone | 99.5 % (221 of 222) | 100.0 % (76 of 76) | 99.1 % (108 of 109) | 100.0 % (37 of 37) |
Sidechain | 98.5 % (262 of 266) | 98.7 % (153 of 155) | 98.1 % (106 of 108) | 100.0 % (3 of 3) |
Aromatic | 90.9 % (20 of 22) | 100.0 % (11 of 11) | 80.0 % (8 of 10) | 100.0 % (1 of 1) |
Methyl | 100.0 % (76 of 76) | 100.0 % (38 of 38) | 100.0 % (38 of 38) |
1. v2e 707
EKTNLEIIIL VETAVIAMEF WLLLVIILRT VKRANGGSolvent system 90% H2O/10% D2O, Temperature 318 K, pH 4.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | v2e_707 | natural abundance | 0.6 mM | |
2 | v2e_707 | [U-100% 13C; U-100% 15N] | 0.6 mM | |
3 | DPC | [U-100% 2H] | 120 mM | |
4 | sodium acetate | [U-99% 2H] | 20 mM | |
5 | sodium azide | natural abundance | 3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 318 K, pH 4.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | v2e_707 | natural abundance | 0.6 mM | |
2 | v2e_707 | [U-100% 13C; U-100% 15N] | 0.6 mM | |
3 | DPC | [U-100% 2H] | 120 mM | |
4 | sodium acetate | [U-99% 2H] | 20 mM | |
5 | sodium azide | natural abundance | 3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 318 K, pH 4.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | v2e_707 | natural abundance | 0.6 mM | |
2 | v2e_707 | [U-100% 13C; U-100% 15N] | 0.6 mM | |
3 | DPC | [U-100% 2H] | 120 mM | |
4 | sodium acetate | [U-99% 2H] | 20 mM | |
5 | sodium azide | natural abundance | 3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 318 K, pH 4.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | v2e_707 | natural abundance | 0.6 mM | |
2 | v2e_707 | [U-100% 13C; U-100% 15N] | 0.6 mM | |
3 | DPC | [U-100% 2H] | 120 mM | |
4 | sodium acetate | [U-99% 2H] | 20 mM | |
5 | sodium azide | natural abundance | 3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 318 K, pH 4.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | v2e_707 | natural abundance | 0.6 mM | |
2 | v2e_707 | [U-100% 13C; U-100% 15N] | 0.6 mM | |
3 | DPC | [U-100% 2H] | 120 mM | |
4 | sodium acetate | [U-99% 2H] | 20 mM | |
5 | sodium azide | natural abundance | 3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 318 K, pH 4.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | v2e_707 | natural abundance | 0.6 mM | |
2 | v2e_707 | [U-100% 13C; U-100% 15N] | 0.6 mM | |
3 | DPC | [U-100% 2H] | 120 mM | |
4 | sodium acetate | [U-99% 2H] | 20 mM | |
5 | sodium azide | natural abundance | 3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 318 K, pH 4.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | v2e_707 | natural abundance | 0.6 mM | |
2 | v2e_707 | [U-100% 13C; U-100% 15N] | 0.6 mM | |
3 | DPC | [U-100% 2H] | 120 mM | |
4 | sodium acetate | [U-99% 2H] | 20 mM | |
5 | sodium azide | natural abundance | 3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 318 K, pH 4.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | v2e_707 | natural abundance | 0.6 mM | |
2 | v2e_707 | [U-100% 13C; U-100% 15N] | 0.6 mM | |
3 | DPC | [U-100% 2H] | 120 mM | |
4 | sodium acetate | [U-99% 2H] | 20 mM | |
5 | sodium azide | natural abundance | 3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 318 K, pH 4.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | v2e_707 | natural abundance | 0.6 mM | |
2 | v2e_707 | [U-100% 13C; U-100% 15N] | 0.6 mM | |
3 | DPC | [U-100% 2H] | 120 mM | |
4 | sodium acetate | [U-99% 2H] | 20 mM | |
5 | sodium azide | natural abundance | 3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 318 K, pH 4.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | v2e_707 | natural abundance | 0.6 mM | |
2 | v2e_707 | [U-100% 13C; U-100% 15N] | 0.6 mM | |
3 | DPC | [U-100% 2H] | 120 mM | |
4 | sodium acetate | [U-99% 2H] | 20 mM | |
5 | sodium azide | natural abundance | 3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 318 K, pH 4.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | v2e_707 | natural abundance | 0.6 mM | |
2 | v2e_707 | [U-100% 13C; U-100% 15N] | 0.6 mM | |
3 | DPC | [U-100% 2H] | 120 mM | |
4 | sodium acetate | [U-99% 2H] | 20 mM | |
5 | sodium azide | natural abundance | 3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_19532_2meu.nef |
Input source #2: Coordindates | 2meu.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------- EKTNLEIIILVETAVIAMEFWLLLVIILRTVKRANGG ||||||||||||||||||||||||||||||||||||| EKTNLEIIILVETAVIAMEFWLLLVIILRTVKRANGG
-------110-------120-------130------- EKTNLEIIILVETAVIAMEFWLLLVIILRTVKRANGG ||||||||||||||||||||||||||||||||||||| EKTNLEIIILVETAVIAMEFWLLLVIILRTVKRANGG --------10--------20--------30-------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 37 | 0 | 0 | 100.0 |
B | B | 37 | 0 | 0 | 100.0 |
Content subtype: combined_19532_2meu.nef
Assigned chemical shifts
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
3 | THR | HG1 | 4.558 |
4 | ASN | CG | 175.448 |
13 | THR | HG1 | 4.558 |
19 | GLU | CD | 129.753 |
29 | ARG | HH21 | 6.901 |
29 | ARG | HH22 | 6.901 |
29 | ARG | NH2 | 72.508 |
30 | THR | HG1 | 4.558 |
33 | ARG | HH21 | 6.79 |
33 | ARG | HH22 | 6.79 |
33 | ARG | NH2 | 72.343 |
35 | ASN | CG | 176.485 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 231 | 228 | 98.7 |
13C chemical shifts | 182 | 179 | 98.4 |
15N chemical shifts | 42 | 42 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 76 | 75 | 98.7 |
13C chemical shifts | 74 | 73 | 98.6 |
15N chemical shifts | 37 | 37 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 155 | 153 | 98.7 |
13C chemical shifts | 108 | 106 | 98.1 |
15N chemical shifts | 5 | 5 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 39 | 39 | 100.0 |
13C chemical shifts | 39 | 39 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 11 | 11 | 100.0 |
13C chemical shifts | 10 | 8 | 80.0 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
--------10--------20--------30------- EKTNLEIIILVETAVIAMEFWLLLVIILRTVKRANGG ||||||||||||||||||||||||||||||||||||| EKTNLEIIILVETAVIAMEFWLLLVIILRTVKRANGG
-------110-------120-------130------- EKTNLEIIILVETAVIAMEFWLLLVIILRTVKRANGG ||||||||||||||||||||||||||||||||||||| EKTNLEIIILVETAVIAMEFWLLLVIILRTVKRANGG
Dihedral angle restraints
--------10--------20--------30------- EKTNLEIIILVETAVIAMEFWLLLVIILRTVKRANGG |||||||||||||||||||||||||||||||||||| EKTNLEIIILVETAVIAMEFWLLLVIILRTVKRANG --------10--------20--------30------
-------110-------120-------130------- EKTNLEIIILVETAVIAMEFWLLLVIILRTVKRANGG |||||||||||||||||||||||||||||||||||| EKTNLEIIILVETAVIAMEFWLLLVIILRTVKRANG -------110-------120-------130------