NMR structure of the protein BC040485 from Homo sapiens
GSKLEEEVDD VFLIRAQGLP WSCTMEDVLN FFSDCRIRNG ENGIHFLLNR DGKRRGDALI EMESEQDVQK ALEKHRMYMG QRYVEVYEIN NEDVDALMKS LQVKSSP
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 83.1 % (1051 of 1264) | 88.0 % (585 of 665) | 72.8 % (351 of 482) | 98.3 % (115 of 117) |
Backbone | 81.3 % (519 of 638) | 93.2 % (204 of 219) | 67.5 % (212 of 314) | 98.1 % (103 of 105) |
Sidechain | 86.5 % (628 of 726) | 85.4 % (381 of 446) | 87.7 % (235 of 268) | 100.0 % (12 of 12) |
Aromatic | 65.5 % (55 of 84) | 64.3 % (27 of 42) | 65.9 % (27 of 41) | 100.0 % (1 of 1) |
Methyl | 93.1 % (95 of 102) | 92.2 % (47 of 51) | 94.1 % (48 of 51) |
1. entity
GSKLEEEVDD VFLIRAQGLP WSCTMEDVLN FFSDCRIRNG ENGIHFLLNR DGKRRGDALI EMESEQDVQK ALEKHRMYMG QRYVEVYEIN NEDVDALMKS LQVKSSPSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-98% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 5 mM | |
4 | sodium chloride | natural abundance | 50 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
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 |
31P | DSS | methyl protons | 0.0 ppm | na | indirect | 0.4048086 |
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 |
31P | DSS | methyl protons | 0.0 ppm | na | indirect | 0.4048086 |
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 |
31P | DSS | methyl protons | 0.0 ppm | na | indirect | 0.4048086 |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-98% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 5 mM | |
4 | sodium chloride | natural abundance | 50 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-98% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 5 mM | |
4 | sodium chloride | natural abundance | 50 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-98% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 5 mM | |
4 | sodium chloride | natural abundance | 50 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-98% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 5 mM | |
4 | sodium chloride | natural abundance | 50 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-98% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 5 mM | |
4 | sodium chloride | natural abundance | 50 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-98% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 5 mM | |
4 | sodium chloride | natural abundance | 50 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-98% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 5 mM | |
4 | sodium chloride | natural abundance | 50 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-98% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 5 mM | |
4 | sodium chloride | natural abundance | 50 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-98% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 5 mM | |
4 | sodium chloride | natural abundance | 50 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-98% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium azide | natural abundance | 5 mM | |
4 | sodium chloride | natural abundance | 50 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_18118_2lmi.nef |
Input source #2: Coordindates | 2lmi.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--------90-------100 GSKLEEEVDDVFLIRAQGLPWSCTMEDVLNFFSDCRIRNGENGIHFLLNRDGKRRGDALIEMESEQDVQKALEKHRMYMGQRYVEVYEINNEDVDALMKS |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSKLEEEVDDVFLIRAQGLPWSCTMEDVLNFFSDCRIRNGENGIHFLLNRDGKRRGDALIEMESEQDVQKALEKHRMYMGQRYVEVYEINNEDVDALMKS ------- LQVKSSP ||||||| LQVKSSP
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 107 | 0 | 0 | 100.0 |
Content subtype: combined_18118_2lmi.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GSKLEEEVDDVFLIRAQGLPWSCTMEDVLNFFSDCRIRNGENGIHFLLNRDGKRRGDALIEMESEQDVQKALEKHRMYMGQRYVEVYEINNEDVDALMKS ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| | ||||||||||||||| .SKLEEEVDDVFLIRAQGLPWSCTMEDVLNFFSDCRIRNGENGIHFLLNRDGKRRGDALIEMESEQDVQKALEKHRMYMGQR.V.VYEINNEDVDALMKS --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 ------- LQVKSSP ||||| LQVKS -----
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
45 | HIS | HD1 | 8.995 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 665 | 589 | 88.6 |
13C chemical shifts | 482 | 340 | 70.5 |
15N chemical shifts | 125 | 113 | 90.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 219 | 207 | 94.5 |
13C chemical shifts | 214 | 102 | 47.7 |
15N chemical shifts | 105 | 101 | 96.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 446 | 382 | 85.7 |
13C chemical shifts | 268 | 238 | 88.8 |
15N chemical shifts | 20 | 12 | 60.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 56 | 54 | 96.4 |
13C chemical shifts | 56 | 54 | 96.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 42 | 27 | 64.3 |
13C chemical shifts | 41 | 27 | 65.9 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GSKLEEEVDDVFLIRAQGLPWSCTMEDVLNFFSDCRIRNGENGIHFLLNRDGKRRGDALIEMESEQDVQKALEKHRMYMGQRYVEVYEINNEDVDALMKS ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| | ||||||||||||||| .SKLEEEVDDVFLIRAQGLPWSCTMEDVLNFFSDCRIRNGENGIHFLLNRDGKRRGDALIEMESEQDVQKALEKHRMYMGQR.V.VYEINNEDVDALMKS --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 ------- LQVKSSP ||||| LQVKS -----