C-terminal structure of (Y81F)-EhCaBP1
MAEALFKEID VNGDGAVSYE EVKAFVSKKR AIKNEQLLQL IFKSIDADGN GEIDQNEFAK FYGSIQGQDL SDDKIGLKVL FKLMDVDGDG KLTKEEVTSF FKKHGIEKVA EQVMKADANG DGYITLEEFL EFSL
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 46.4 % (734 of 1581) | 43.8 % (360 of 822) | 48.7 % (299 of 614) | 51.7 % (75 of 145) |
Backbone | 54.9 % (441 of 804) | 55.4 % (155 of 280) | 54.1 % (211 of 390) | 56.0 % (75 of 134) |
Sidechain | 39.9 % (359 of 899) | 38.0 % (206 of 542) | 44.2 % (153 of 346) | 0.0 % (0 of 11) |
Aromatic | 6.3 % (8 of 128) | 7.8 % (5 of 64) | 4.7 % (3 of 64) | |
Methyl | 54.8 % (80 of 146) | 56.2 % (41 of 73) | 53.4 % (39 of 73) |
1. (Y81F)-EhCaBP1
MAEALFKEID VNGDGAVSYE EVKAFVSKKR AIKNEQLLQL IFKSIDADGN GEIDQNEFAK FYGSIQGQDL SDDKIGLKVL FKLMDVDGDG KLTKEEVTSF FKKHGIEKVA EQVMKADANG DGYITLEEFL EFSLSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details u-15N,(Y81F)-EhCaBP1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | (Y81F)-EhCaBP1 | [U-99% 15N] | 0.8 (±0.1) mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details u-15N/13C,(Y81F)-EhCaBP1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | (Y81F)-EhCaBP1 | [U-99% 13C; U-99% 15N] | 0.8 (±0.1) mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details u-15N/13C,(Y81F)-EhCaBP1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | (Y81F)-EhCaBP1 | [U-99% 13C; U-99% 15N] | 0.8 (±0.1) mM | |
8 | D2O | natural abundance | 100 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details u-15N,(Y81F)-EhCaBP1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | (Y81F)-EhCaBP1 | [U-99% 15N] | 0.8 (±0.1) mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details u-15N/13C,(Y81F)-EhCaBP1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | (Y81F)-EhCaBP1 | [U-99% 13C; U-99% 15N] | 0.8 (±0.1) mM | |
8 | D2O | natural abundance | 100 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details u-15N/13C,(Y81F)-EhCaBP1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | (Y81F)-EhCaBP1 | [U-99% 13C; U-99% 15N] | 0.8 (±0.1) mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details u-15N/13C,(Y81F)-EhCaBP1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | (Y81F)-EhCaBP1 | [U-99% 13C; U-99% 15N] | 0.8 (±0.1) mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details u-15N/13C,(Y81F)-EhCaBP1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | (Y81F)-EhCaBP1 | [U-99% 13C; U-99% 15N] | 0.8 (±0.1) mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details u-15N/13C,(Y81F)-EhCaBP1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | (Y81F)-EhCaBP1 | [U-99% 13C; U-99% 15N] | 0.8 (±0.1) mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details u-15N/13C,(Y81F)-EhCaBP1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | (Y81F)-EhCaBP1 | [U-99% 13C; U-99% 15N] | 0.8 (±0.1) mM | |
8 | D2O | natural abundance | 100 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details u-15N/13C,(Y81F)-EhCaBP1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | (Y81F)-EhCaBP1 | [U-99% 13C; U-99% 15N] | 0.8 (±0.1) mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_19197_2m7n.nef |
Input source #2: Coordindates | 2m7n.cif |
Diamagnetism of the molecular assembly | False (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 (Å) |
---|---|---|---|---|
1:119:ASN:OD1 | 2:2:CA:CA | unknown | unknown | n/a |
1:121:ASP:OD2 | 2:2:CA:CA | unknown | unknown | n/a |
1:96:GLU:OE2 | 2:1:CA:CA | unknown | unknown | n/a |
1:89:ASP:OD1 | 2:1:CA:CA | unknown | unknown | n/a |
1:128:GLU:OE1 | 2:2:CA:CA | unknown | unknown | n/a |
1:117:ASP:OD2 | 2:2:CA:CA | unknown | unknown | n/a |
1:87:ASP:OD1 | 2:1:CA:CA | unknown | unknown | n/a |
1:87:ASP:OD2 | 2:1:CA:CA | unknown | unknown | n/a |
1:128:GLU:OE2 | 2:2:CA:CA | unknown | unknown | n/a |
1:89:ASP:OD2 | 2:1:CA:CA | unknown | unknown | n/a |
1:85:ASP:OD2 | 2:1:CA:CA | unknown | unknown | n/a |
1:123:TYR:O | 2:2:CA:CA | unknown | unknown | n/a |
1:91:LYS:O | 2:1:CA:CA | unknown | unknown | n/a |
1:121:ASP:OD1 | 2:2:CA:CA | unknown | unknown | n/a |
1:96:GLU:OE1 | 2:1:CA:CA | unknown | unknown | n/a |
1:117:ASP:OD1 | 2:2:CA:CA | unknown | unknown | n/a |
1:85:ASP:OD1 | 2:1:CA:CA | unknown | unknown | n/a |
Non-standard residues
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
B | 1 | CA | CALCIUM ION | None |
B | 2 | CA | CALCIUM ION | None |
Sequence alignments
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MAEALFKEIDVNGDGAVSYEEVKAFVSKKRAIKNEQLLQLIFKSIDADGNGEIDQNEFAKFYGSIQGQDLSDDKIGLKVLFKLMDVDGDGKLTKEEVTSF |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MAEALFKEIDVNGDGAVSYEEVKAFVSKKRAIKNEQLLQLIFKSIDADGNGEIDQNEFAKFYGSIQGQDLSDDKIGLKVLFKLMDVDGDGKLTKEEVTSF -------110-------120-------130---- FKKHGIEKVAEQVMKADANGDGYITLEEFLEFSL |||||||||||||||||||||||||||||||||| FKKHGIEKVAEQVMKADANGDGYITLEEFLEFSL
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 134 | 0 | 0 | 100.0 |
Content subtype: combined_19197_2m7n.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MAEALFKEIDVNGDGAVSYEEVKAFVSKKRAIKNEQLLQLIFKSIDADGNGEIDQNEFAKFYGSIQGQDLSDDKIGLKVLFKLMDVDGDGKLTKEEVTSF |||||||||||||||||||||||||||||||||| ..................................................................GQDLSDDKIGLKVLFKLMDVDGDGKLTKEEVTSF -------110-------120-------130---- FKKHGIEKVAEQVMKADANGDGYITLEEFLEFSL |||||||||||||||||||||||||||||||||| FKKHGIEKVAEQVMKADANGDGYITLEEFLEFSL
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
93 | THR | HG1 | 5.36 |
98 | THR | HG1 | 5.46 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 822 | 301 | 36.6 |
13C chemical shifts | 614 | 266 | 43.3 |
15N chemical shifts | 146 | 68 | 46.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 280 | 140 | 50.0 |
13C chemical shifts | 268 | 133 | 49.6 |
15N chemical shifts | 134 | 68 | 50.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 542 | 161 | 29.7 |
13C chemical shifts | 346 | 133 | 38.4 |
15N chemical shifts | 12 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 76 | 37 | 48.7 |
13C chemical shifts | 76 | 37 | 48.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 64 | 0 | 0.0 |
13C chemical shifts | 64 | 0 | 0.0 |
Covalent bonds
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MAEALFKEIDVNGDGAVSYEEVKAFVSKKRAIKNEQLLQLIFKSIDADGNGEIDQNEFAKFYGSIQGQDLSDDKIGLKVLFKLMDVDGDGKLTKEEVTSF |||||||||||||||||||||||||||||||||| ..................................................................GQDLSDDKIGLKVLFKLMDVDGDGKLTKEEVTSF -------110-------120-------130---- FKKHGIEKVAEQVMKADANGDGYITLEEFLEFSL |||||||||||||||||||||||||||||||||| FKKHGIEKVAEQVMKADANGDGYITLEEFLEFSL
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MAEALFKEIDVNGDGAVSYEEVKAFVSKKRAIKNEQLLQLIFKSIDADGNGEIDQNEFAKFYGSIQGQDLSDDKIGLKVLFKLMDVDGDGKLTKEEVTSF ||||||||||||||||||||||||||||||||||| .................................................................QGQDLSDDKIGLKVLFKLMDVDGDGKLTKEEVTSF -------110-------120-------130---- FKKHGIEKVAEQVMKADANGDGYITLEEFLEFSL |||||||||||||||||||||||||||||||||| FKKHGIEKVAEQVMKADANGDGYITLEEFLEFSL