Structural Basis of PxxDY Motif Recognition in SH3 Binding
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 86.6 % (687 of 793) | 92.3 % (381 of 413) | 78.9 % (243 of 308) | 87.5 % (63 of 72) |
Backbone | 80.9 % (322 of 398) | 93.4 % (127 of 136) | 67.8 % (135 of 199) | 95.2 % (60 of 63) |
Sidechain | 93.2 % (427 of 458) | 91.7 % (254 of 277) | 98.8 % (170 of 172) | 33.3 % (3 of 9) |
Aromatic | 98.7 % (77 of 78) | 100.0 % (39 of 39) | 97.2 % (35 of 36) | 100.0 % (3 of 3) |
Methyl | 98.6 % (69 of 70) | 97.1 % (34 of 35) | 100.0 % (35 of 35) |
1. Eps8L1SH3
GPLGSGALKW VLCNYDFQAR NSSELSVKQR DVLEVLDDSR KWWKVRDPAG QEGYVPYNIL TPYPAAASSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Eps8L1SH3 | [U-13C; U-15N] | 0.8 mM |
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 | water | protons | 4.793 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 | water | protons | 4.793 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 | water | protons | 4.793 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Eps8L1SH3 | [U-13C; U-15N] | 0.8 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Eps8L1SH3 | [U-13C; U-15N] | 0.8 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Eps8L1SH3 | [U-13C; U-15N] | 0.8 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Eps8L1SH3 | [U-13C; U-15N] | 0.8 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Eps8L1SH3 | [U-13C; U-15N] | 0.8 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Eps8L1SH3 | [U-13C; U-15N] | 0.8 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Eps8L1SH3 | [U-13C; U-15N] | 0.8 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Eps8L1SH3 | [U-13C; U-15N] | 0.8 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Eps8L1SH3 | [U-13C; U-15N] | 0.8 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Eps8L1SH3 | [U-13C; U-15N] | 0.8 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Eps8L1SH3 | [U-13C; U-15N] | 0.8 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Eps8L1SH3 | [U-13C; U-15N] | 0.8 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Eps8L1SH3 | [U-13C; U-15N] | 0.8 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_15710_2k2m.nef |
Input source #2: Coordindates | 2k2m.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
-----480-------490-------500-------510-------520-------530-------540 GPLGSGALKWVLCNYDFQARNSSELSVKQRDVLEVLDDSRKWWKVRDPAGQEGYVPYNILTPYPAAAS |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GPLGSGALKWVLCNYDFQARNSSELSVKQRDVLEVLDDSRKWWKVRDPAGQEGYVPYNILTPYPAAAS --------10--------20--------30--------40--------50--------60--------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 68 | 0 | 0 | 100.0 |
Content subtype: combined_15710_2k2m.nef
Assigned chemical shifts
-----480-------490-------500-------510-------520-------530-------540 GPLGSGALKWVLCNYDFQARNSSELSVKQRDVLEVLDDSRKWWKVRDPAGQEGYVPYNILTPYPAAAS ||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .PLG.GALKWVLCNYDFQARNSSELSVKQRDVLEVLDDSRKWWKVRDPAGQEGYVPYNILTPYPAAAS
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 413 | 382 | 92.5 |
13C chemical shifts | 308 | 235 | 76.3 |
15N chemical shifts | 76 | 62 | 81.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 136 | 125 | 91.9 |
13C chemical shifts | 136 | 66 | 48.5 |
15N chemical shifts | 63 | 58 | 92.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 277 | 257 | 92.8 |
13C chemical shifts | 172 | 169 | 98.3 |
15N chemical shifts | 13 | 4 | 30.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 35 | 35 | 100.0 |
13C chemical shifts | 35 | 35 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 39 | 39 | 100.0 |
13C chemical shifts | 36 | 35 | 97.2 |
15N chemical shifts | 3 | 3 | 100.0 |
Distance restraints
-----480-------490-------500-------510-------520-------530-------540 GPLGSGALKWVLCNYDFQARNSSELSVKQRDVLEVLDDSRKWWKVRDPAGQEGYVPYNILTPYPAAAS | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..L...ALKWVLCNYDFQARNSSELSVKQRDVLEVLDDSRKWWKVRDPAGQEGYVPYNILTPYPAA -----480-------490-------500-------510-------520-------530--------