p130Cas SH3 domain
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 91.7 % (867 of 945) | 91.9 % (451 of 491) | 91.1 % (336 of 369) | 94.1 % (80 of 85) |
Backbone | 94.8 % (455 of 480) | 90.5 % (152 of 168) | 97.9 % (229 of 234) | 94.9 % (74 of 78) |
Sidechain | 89.9 % (483 of 537) | 92.6 % (299 of 323) | 86.0 % (178 of 207) | 85.7 % (6 of 7) |
Aromatic | 56.9 % (41 of 72) | 75.0 % (27 of 36) | 35.3 % (12 of 34) | 100.0 % (2 of 2) |
Methyl | 95.7 % (90 of 94) | 100.0 % (47 of 47) | 91.5 % (43 of 47) |
1. entity 1
GSMKYLNVLA KALYDNVAES PDELSFRKGD IMTVLERDTQ GLDGWWLCSL HGRQGIVPGN RLKILVGMYD KKPAGEFIVT DSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 25 mM sodium phosphate, 1 M TCEP, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 0.45 mM | |
2 | TCEP | natural abundance | 1 M | |
3 | sodium phosphate | natural abundance | 25 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Bruker AvanceII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 25 mM sodium phosphate, 1 M TCEP, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 0.45 mM | |
2 | TCEP | natural abundance | 1 M | |
3 | sodium phosphate | natural abundance | 25 mM |
Bruker AvanceII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 25 mM sodium phosphate, 1 M TCEP, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 0.45 mM | |
2 | TCEP | natural abundance | 1 M | |
3 | sodium phosphate | natural abundance | 25 mM |
Bruker AvanceII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 25 mM sodium phosphate, 1 M TCEP, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 0.45 mM | |
2 | TCEP | natural abundance | 1 M | |
3 | sodium phosphate | natural abundance | 25 mM |
Bruker Avance - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 25 mM sodium phosphate, 1 M TCEP, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 0.45 mM | |
2 | TCEP | natural abundance | 1 M | |
3 | sodium phosphate | natural abundance | 25 mM |
Bruker Avance - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 25 mM sodium phosphate, 1 M TCEP, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 0.45 mM | |
2 | TCEP | natural abundance | 1 M | |
3 | sodium phosphate | natural abundance | 25 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_34141_5o2m.nef |
Input source #2: Coordindates | 5o2m.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- GSMKYLNVLAKALYDNVAESPDELSFRKGDIMTVLERDTQGLDGWWLCSLHGRQGIVPGNRLKILVGMYDKKPAGEFIVTD ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSMKYLNVLAKALYDNVAESPDELSFRKGDIMTVLERDTQGLDGWWLCSLHGRQGIVPGNRLKILVGMYDKKPAGEFIVTD
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 81 | 0 | 0 | 100.0 |
Content subtype: combined_34141_5o2m.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80- GSMKYLNVLAKALYDNVAESPDELSFRKGDIMTVLERDTQGLDGWWLCSLHGRQGIVPGNRLKILVGMYDKKPAGEFIVTD ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..MKYLNVLAKALYDNVAESPDELSFRKGDIMTVLERDTQGLDGWWLCSLHGRQGIVPGNRLKILVGMYDKKPAGEFIVTD
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 369 | 336 | 91.1 |
1H chemical shifts | 491 | 451 | 91.9 |
15N chemical shifts | 89 | 80 | 89.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 162 | 158 | 97.5 |
1H chemical shifts | 168 | 156 | 92.9 |
15N chemical shifts | 78 | 74 | 94.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 207 | 178 | 86.0 |
1H chemical shifts | 323 | 295 | 91.3 |
15N chemical shifts | 11 | 6 | 54.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 50 | 45 | 90.0 |
1H chemical shifts | 50 | 49 | 98.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 34 | 12 | 35.3 |
1H chemical shifts | 36 | 27 | 75.0 |
15N chemical shifts | 2 | 2 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80- GSMKYLNVLAKALYDNVAESPDELSFRKGDIMTVLERDTQGLDGWWLCSLHGRQGIVPGNRLKILVGMYDKKPAGEFIVTD |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| | ||| ||||| ....YLNVLAKALYDNVAESPDELSFRKGDIMTVLERDTQGLDGWWLCSLHGRQGIVPGNRLKILV..Y.KKP...FIVTD
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80- GSMKYLNVLAKALYDNVAESPDELSFRKGDIMTVLERDTQGLDGWWLCSLHGRQGIVPGNRLKILVGMYDKKPAGEFIVTD |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ||| ...KYLNVLAKALYDNVAESPDELSFRKGDIMTVLERDTQGLDGWWLCSLHGRQGIVPGNRLKIL.....KKP --------10--------20--------30--------40--------50--------60--------70---