Identification and structural basis for a novel interaction between Vav2 and Arap3
SRPPSREIDY TAYPWFAGNM ERQQTDNLLK SHASGTYLIR ERPAEAERFA ISIKFNDEVK HIKVVEKDNW IHITEAKKFD SLLELVEYYQ CHSLKESFKQ LDTTLKYPYK SRE
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 89.8 % (1256 of 1398) | 95.4 % (701 of 735) | 80.7 % (440 of 545) | 97.5 % (115 of 118) |
Backbone | 95.5 % (638 of 668) | 96.4 % (215 of 223) | 94.1 % (317 of 337) | 98.1 % (106 of 108) |
Sidechain | 85.9 % (722 of 841) | 94.9 % (486 of 512) | 71.2 % (227 of 319) | 90.0 % (9 of 10) |
Aromatic | 50.0 % (73 of 146) | 89.0 % (65 of 73) | 9.9 % (7 of 71) | 50.0 % (1 of 2) |
Methyl | 98.1 % (104 of 106) | 100.0 % (53 of 53) | 96.2 % (51 of 53) |
1. entity
SRPPSREIDY TAYPWFAGNM ERQQTDNLLK SHASGTYLIR ERPAEAERFA ISIKFNDEVK HIKVVEKDNW IHITEAKKFD SLLELVEYYQ CHSLKESFKQ LDTTLKYPYK SRESolvent system 90% H2O/10% D2O, Temperature 293 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1 mM | |
2 | DTT | natural abundance | 5 mM | |
3 | sodium chloride | natural abundance | 75 mM | |
4 | potassium phosphate | natural abundance | 5 mM | |
5 | sodium phosphate | natural abundance | 20 mM | |
6 | EDTA | natural abundance | 1 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Temperature 293 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | entity | [U-13C; U-15N] | 1 mM | |
10 | sodium chloride | natural abundance | 75 mM | |
11 | DTT | natural abundance | 5 mM | |
12 | potassium phosphate | natural abundance | 5 mM | |
13 | sodium phosphate | natural abundance | 20 mM | |
14 | EDTA | natural abundance | 1 mM | |
15 | D2O | natural abundance | 100 % |
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, Temperature 293 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1 mM | |
2 | DTT | natural abundance | 5 mM | |
3 | sodium chloride | natural abundance | 75 mM | |
4 | potassium phosphate | natural abundance | 5 mM | |
5 | sodium phosphate | natural abundance | 20 mM | |
6 | EDTA | natural abundance | 1 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1 mM | |
2 | DTT | natural abundance | 5 mM | |
3 | sodium chloride | natural abundance | 75 mM | |
4 | potassium phosphate | natural abundance | 5 mM | |
5 | sodium phosphate | natural abundance | 20 mM | |
6 | EDTA | natural abundance | 1 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1 mM | |
2 | DTT | natural abundance | 5 mM | |
3 | sodium chloride | natural abundance | 75 mM | |
4 | potassium phosphate | natural abundance | 5 mM | |
5 | sodium phosphate | natural abundance | 20 mM | |
6 | EDTA | natural abundance | 1 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1 mM | |
2 | DTT | natural abundance | 5 mM | |
3 | sodium chloride | natural abundance | 75 mM | |
4 | potassium phosphate | natural abundance | 5 mM | |
5 | sodium phosphate | natural abundance | 20 mM | |
6 | EDTA | natural abundance | 1 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1 mM | |
2 | DTT | natural abundance | 5 mM | |
3 | sodium chloride | natural abundance | 75 mM | |
4 | potassium phosphate | natural abundance | 5 mM | |
5 | sodium phosphate | natural abundance | 20 mM | |
6 | EDTA | natural abundance | 1 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1 mM | |
2 | DTT | natural abundance | 5 mM | |
3 | sodium chloride | natural abundance | 75 mM | |
4 | potassium phosphate | natural abundance | 5 mM | |
5 | sodium phosphate | natural abundance | 20 mM | |
6 | EDTA | natural abundance | 1 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1 mM | |
2 | DTT | natural abundance | 5 mM | |
3 | sodium chloride | natural abundance | 75 mM | |
4 | potassium phosphate | natural abundance | 5 mM | |
5 | sodium phosphate | natural abundance | 20 mM | |
6 | EDTA | natural abundance | 1 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1 mM | |
2 | DTT | natural abundance | 5 mM | |
3 | sodium chloride | natural abundance | 75 mM | |
4 | potassium phosphate | natural abundance | 5 mM | |
5 | sodium phosphate | natural abundance | 20 mM | |
6 | EDTA | natural abundance | 1 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1 mM | |
2 | DTT | natural abundance | 5 mM | |
3 | sodium chloride | natural abundance | 75 mM | |
4 | potassium phosphate | natural abundance | 5 mM | |
5 | sodium phosphate | natural abundance | 20 mM | |
6 | EDTA | natural abundance | 1 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | entity | [U-13C; U-15N] | 1 mM | |
10 | sodium chloride | natural abundance | 75 mM | |
11 | DTT | natural abundance | 5 mM | |
12 | potassium phosphate | natural abundance | 5 mM | |
13 | sodium phosphate | natural abundance | 20 mM | |
14 | EDTA | natural abundance | 1 mM | |
15 | D2O | natural abundance | 100 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | entity | [U-13C; U-15N] | 1 mM | |
10 | sodium chloride | natural abundance | 75 mM | |
11 | DTT | natural abundance | 5 mM | |
12 | potassium phosphate | natural abundance | 5 mM | |
13 | sodium phosphate | natural abundance | 20 mM | |
14 | EDTA | natural abundance | 1 mM | |
15 | D2O | natural abundance | 100 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 100% D2O, Temperature 293 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | entity | [U-13C; U-15N] | 1 mM | |
10 | sodium chloride | natural abundance | 75 mM | |
11 | DTT | natural abundance | 5 mM | |
12 | potassium phosphate | natural abundance | 5 mM | |
13 | sodium phosphate | natural abundance | 20 mM | |
14 | EDTA | natural abundance | 1 mM | |
15 | D2O | natural abundance | 100 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_18183_2lnx.nef |
Input source #2: Coordindates | 2lnx.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
650-----660-------670-------680-------690-------700-------710-------720-------730-------740-------75 MGHHHHHHMSRPPSREIDYTAYPWFAGNMERQQTDNLLKSHASGTYLIRERPAEAERFAISIKFNDEVKHIKVVEKDNWIHITEAKKFDSLLELVEYYQC |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MGHHHHHHMSRPPSREIDYTAYPWFAGNMERQQTDNLLKSHASGTYLIRERPAEAERFAISIKFNDEVKHIKVVEKDNWIHITEAKKFDSLLELVEYYQC --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 0-------760-------770- HSLKESFKQLDTTLKYPYKSRE |||||||||||||||||||||| HSLKESFKQLDTTLKYPYKSRE -------110-------120--
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 122 | 0 | 0 | 100.0 |
Content subtype: combined_18183_2lnx.nef
Assigned chemical shifts
650-----660-------670-------680-------690-------700-------710-------720-------730-------740-------75 MGHHHHHHMSRPPSREIDYTAYPWFAGNMERQQTDNLLKSHASGTYLIRERPAEAERFAISIKFNDEVKHIKVVEKDNWIHITEAKKFDSLLELVEYYQC ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .........SRPPSREIDYTAYPWFAGNMERQQTDNLLKSHASGTYLIRERPAEAERFAISIKFNDEVKHIKVVEKDNWIHITEAKKFDSLLELVEYYQC 0-------760-------770- HSLKESFKQLDTTLKYPYKSRE |||||||||||||||||||||| HSLKESFKQLDTTLKYPYKSRE
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
659 | SER | HG | 8.436 |
739 | SER | HG | 5.331 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 788 | 711 | 90.2 |
13C chemical shifts | 587 | 431 | 73.4 |
15N chemical shifts | 134 | 116 | 86.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 242 | 220 | 90.9 |
13C chemical shifts | 244 | 212 | 86.9 |
15N chemical shifts | 117 | 106 | 90.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 546 | 491 | 89.9 |
13C chemical shifts | 343 | 219 | 63.8 |
15N chemical shifts | 17 | 10 | 58.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 56 | 54 | 96.4 |
13C chemical shifts | 56 | 51 | 91.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 85 | 64 | 75.3 |
13C chemical shifts | 83 | 0 | 0.0 |
15N chemical shifts | 2 | 1 | 50.0 |
Distance restraints
650-----660-------670-------680-------690-------700-------710-------720-------730-------740-------75 MGHHHHHHMSRPPSREIDYTAYPWFAGNMERQQTDNLLKSHASGTYLIRERPAEAERFAISIKFNDEVKHIKVVEKDNWIHITEAKKFDSLLELVEYYQC ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .........SRPPSREIDYTAYPWFAGNMERQQTDNLLKSHASGTYLIRERPAEAERFAISIKFNDEVKHIKVVEKDNWIHITEAKKFDSLLELVEYYQC 0-------760-------770- HSLKESFKQLDTTLKYPYKSRE |||||||||||||||||||||| HSLKESFKQLDTTLKYPYKSRE
Dihedral angle restraints
650-----660-------670-------680-------690-------700-------710-------720-------730-------740-------75 MGHHHHHHMSRPPSREIDYTAYPWFAGNMERQQTDNLLKSHASGTYLIRERPAEAERFAISIKFNDEVKHIKVVEKDNWIHITEAKKFDSLLELVEYYQC ||| ||| ||||||||||||| ||||||||| ||||||||||||||||||||||||| ||||||||||||||| ..................YTA..WFA..MERQQTDNLLKSH..GTYLIRERP....RFAISIKFNDEVKHIKVVEKDNWIH....KKFDSLLELVEYYQC 650-----660-------670-------680-------690-------700-------710-------720-------730-------740-------75 0-------760-------770- HSLKESFKQLDTTLKYPYKSRE ||||||| ||| ......FKQLDTT..YPY 0-------760-------