Lim5 domain of PINCH1 protein
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 78.2 % (746 of 954) | 81.8 % (410 of 501) | 70.3 % (260 of 370) | 91.6 % (76 of 83) |
Backbone | 82.1 % (386 of 470) | 93.8 % (150 of 160) | 69.1 % (161 of 233) | 97.4 % (75 of 77) |
Sidechain | 78.0 % (436 of 559) | 76.2 % (260 of 341) | 82.5 % (175 of 212) | 16.7 % (1 of 6) |
Aromatic | 21.6 % (16 of 74) | 21.6 % (8 of 37) | 22.2 % (8 of 36) | 0.0 % (0 of 1) |
Methyl | 93.8 % (75 of 80) | 97.5 % (39 of 40) | 90.0 % (36 of 40) |
1. entity 1
GSGDVCFHCN RVIEGDVVSA LNKAWCVNCF ACSTCNTKLT LKNKFVEFDM KPVCKKCYEK FPLELKKRLK KLAETLGRKSolvent system 90% H2O/10% D2O, Pressure 1 Pa, Temperature 298 K, pH 6.5, Details 0.5 mM [U-15N] Lim5-T, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Lim5-T | [U-15N] | 0.5 mM | |
2 | NaCl | natural abundance | 20 mM |
Solvent system 90% H2O/10% D2O, Pressure 1 Pa, Temperature 298 K, pH 6.5, Details 1.0 mM [U-13C; U-15N] 15N 13C Lim5-T, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | 15N 13C Lim5-T | [U-13C; U-15N] | 1.0 mM | |
4 | NaCl | natural abundance | 20 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 Pa, Temperature 298 K, pH 6.5, Details 0.5 mM [U-15N] Lim5-T, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Lim5-T | [U-15N] | 0.5 mM | |
2 | NaCl | natural abundance | 20 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 Pa, Temperature 298 K, pH 6.5, Details 1.0 mM [U-13C; U-15N] 15N 13C Lim5-T, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | 15N 13C Lim5-T | [U-13C; U-15N] | 1.0 mM | |
4 | NaCl | natural abundance | 20 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 Pa, Temperature 298 K, pH 6.5, Details 1.0 mM [U-13C; U-15N] 15N 13C Lim5-T, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | 15N 13C Lim5-T | [U-13C; U-15N] | 1.0 mM | |
4 | NaCl | natural abundance | 20 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 Pa, Temperature 298 K, pH 6.5, Details 1.0 mM [U-13C; U-15N] 15N 13C Lim5-T, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | 15N 13C Lim5-T | [U-13C; U-15N] | 1.0 mM | |
4 | NaCl | natural abundance | 20 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 Pa, Temperature 298 K, pH 6.5, Details 1.0 mM [U-13C; U-15N] 15N 13C Lim5-T, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | 15N 13C Lim5-T | [U-13C; U-15N] | 1.0 mM | |
4 | NaCl | natural abundance | 20 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 Pa, Temperature 298 K, pH 6.5, Details 1.0 mM [U-13C; U-15N] 15N 13C Lim5-T, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | 15N 13C Lim5-T | [U-13C; U-15N] | 1.0 mM | |
4 | NaCl | natural abundance | 20 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 Pa, Temperature 298 K, pH 6.5, Details 1.0 mM [U-13C; U-15N] 15N 13C Lim5-T, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | 15N 13C Lim5-T | [U-13C; U-15N] | 1.0 mM | |
4 | NaCl | natural abundance | 20 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 Pa, Temperature 298 K, pH 6.5, Details 1.0 mM [U-13C; U-15N] 15N 13C Lim5-T, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | 15N 13C Lim5-T | [U-13C; U-15N] | 1.0 mM | |
4 | NaCl | natural abundance | 20 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 Pa, Temperature 298 K, pH 6.5, Details 1.0 mM [U-13C; U-15N] 15N 13C Lim5-T, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | 15N 13C Lim5-T | [U-13C; U-15N] | 1.0 mM | |
4 | NaCl | natural abundance | 20 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 Pa, Temperature 298 K, pH 6.5, Details 1.0 mM [U-13C; U-15N] 15N 13C Lim5-T, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | 15N 13C Lim5-T | [U-13C; U-15N] | 1.0 mM | |
4 | NaCl | natural abundance | 20 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 Pa, Temperature 298 K, pH 6.5, Details 1.0 mM [U-13C; U-15N] 15N 13C Lim5-T, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | 15N 13C Lim5-T | [U-13C; U-15N] | 1.0 mM | |
4 | NaCl | natural abundance | 20 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_30518_6mif.nef |
Input source #2: Coordindates | 6mif.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 | True (see coodinates for details) |
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)
Ptnr_site_1 | Ptnr_site_2 | Redox_state_prediction_1 | Redox_state_prediction_2 | Distance (Ã…) |
---|---|---|---|---|
1:6:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:9:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:26:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:29:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:32:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:35:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:54:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:57:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
Non-standard residues
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
B | 1 | ZN | ZINC ION | None |
B | 2 | ZN | ZINC ION | None |
Sequence alignments
---250-----260-------270-------280-------290-------300-------310-------320----- GSGDVCFHCNRVIEGDVVSALNKAWCVNCFACSTCNTKLTLKNKFVEFDMKPVCKKCYEKFPLELKKRLKKLAETLGRK ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSGDVCFHCNRVIEGDVVSALNKAWCVNCFACSTCNTKLTLKNKFVEFDMKPVCKKCYEKFPLELKKRLKKLAETLGRK --------10--------20--------30--------40--------50--------60--------70---------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 79 | 0 | 0 | 100.0 |
Content subtype: combined_30518_6mif.nef
Assigned chemical shifts
---250-----260-------270-------280-------290-------300-------310-------320----- GSGDVCFHCNRVIEGDVVSALNKAWCVNCFACSTCNTKLTLKNKFVEFDMKPVCKKCYEKFPLELKKRLKKLAETLGRK |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .SGDVCFHCNRVIEGDVVSALNKAWCVNCFACSTCNTKLTLKNKFVEFDMKPVCKKCYEKFPLELKKRLKKLAETLGRK
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 501 | 401 | 80.0 |
13C chemical shifts | 370 | 240 | 64.9 |
15N chemical shifts | 86 | 76 | 88.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 160 | 152 | 95.0 |
13C chemical shifts | 158 | 78 | 49.4 |
15N chemical shifts | 77 | 75 | 97.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 341 | 249 | 73.0 |
13C chemical shifts | 212 | 162 | 76.4 |
15N chemical shifts | 9 | 1 | 11.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 41 | 40 | 97.6 |
13C chemical shifts | 41 | 37 | 90.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 37 | 0 | 0.0 |
13C chemical shifts | 36 | 0 | 0.0 |
15N chemical shifts | 1 | 0 | 0.0 |
Covalent bonds
Distance restraints
---250-----260-------270-------280-------290-------300-------310-------320----- GSGDVCFHCNRVIEGDVVSALNKAWCVNCFACSTCNTKLTLKNKFVEFDMKPVCKKCYEKFPLELKKRLKKLAETLGRK |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .SGDVCFHCNRVIEGDVVSALNKAWCVNCFACSTCNTKLTLKNKFVEFDMKPVCKKCYEKFPLELKKRLKKLAETLGRK
Dihedral angle restraints
---250-----260-------270-------280-------290-------300-------310-------320----- GSGDVCFHCNRVIEGDVVSALNKAWCVNCFACSTCNTKLTLKNKFVEFDMKPVCKKCYEKFPLELKKRLKKLAETLGRK |||||||| |||| |||||||||||||||||||| ||||||||||||||||||||||||||||||||||||||| .SGDVCFHC.RVIE.DVVSALNKAWCVNCFACSTC.TKLTLKNKFVEFDMKPVCKKCYEKFPLELKKRLKKLAET ---250-----260-------270-------280-------290-------300-------310-------320-