NMR Structure of the protein NP_346341.1 from Streptococcus pneumoniae
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 83.4 % (680 of 815) | 89.2 % (373 of 418) | 73.1 % (237 of 324) | 95.9 % (70 of 73) |
Backbone | 77.4 % (325 of 420) | 89.0 % (129 of 145) | 62.9 % (129 of 205) | 95.7 % (67 of 70) |
Sidechain | 90.7 % (417 of 460) | 89.4 % (244 of 273) | 92.4 % (170 of 184) | 100.0 % (3 of 3) |
Aromatic | 89.7 % (70 of 78) | 94.9 % (37 of 39) | 84.6 % (33 of 39) | |
Methyl | 96.3 % (79 of 82) | 95.1 % (39 of 41) | 97.6 % (40 of 41) |
1. entity
GDDRKLMKTQ EELTEIVRDH FSDMGEIATL YVQVYESSLE SLVGGVIFED GRHYTFVYEN EDLVYEEEVLSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-98% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium phosphate | natural abundance | 20 mM | |
4 | sodium azide | natural abundance | 5 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 | DSS | methyl protons | 0.0 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 | DSS | methyl protons | 0.0 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 | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-98% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium phosphate | natural abundance | 20 mM | |
4 | sodium azide | natural abundance | 5 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-98% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium phosphate | natural abundance | 20 mM | |
4 | sodium azide | natural abundance | 5 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-98% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium phosphate | natural abundance | 20 mM | |
4 | sodium azide | natural abundance | 5 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-98% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium phosphate | natural abundance | 20 mM | |
4 | sodium azide | natural abundance | 5 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-98% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium phosphate | natural abundance | 20 mM | |
4 | sodium azide | natural abundance | 5 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-98% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium phosphate | natural abundance | 20 mM | |
4 | sodium azide | natural abundance | 5 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-98% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium phosphate | natural abundance | 20 mM | |
4 | sodium azide | natural abundance | 5 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_19198_2m7o.nef |
Input source #2: Coordindates | 2m7o.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 GDDRKLMKTQEELTEIVRDHFSDMGEIATLYVQVYESSLESLVGGVIFEDGRHYTFVYENEDLVYEEEVL |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GDDRKLMKTQEELTEIVRDHFSDMGEIATLYVQVYESSLESLVGGVIFEDGRHYTFVYENEDLVYEEEVL
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 70 | 0 | 0 | 100.0 |
Content subtype: combined_19198_2m7o.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70 GDDRKLMKTQEELTEIVRDHFSDMGEIATLYVQVYESSLESLVGGVIFEDGRHYTFVYENEDLVYEEEVL |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..DRKLMKTQEELTEIVRDHFSDMGEIATLYVQVYESSLESLVGGVIFEDGRHYTFVYENEDLVYEEEVL
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 418 | 391 | 93.5 |
15N chemical shifts | 76 | 70 | 92.1 |
13C chemical shifts | 324 | 233 | 71.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 145 | 137 | 94.5 |
15N chemical shifts | 70 | 67 | 95.7 |
13C chemical shifts | 140 | 63 | 45.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 273 | 254 | 93.0 |
15N chemical shifts | 6 | 3 | 50.0 |
13C chemical shifts | 184 | 170 | 92.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 43 | 42 | 97.7 |
13C chemical shifts | 43 | 42 | 97.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 39 | 37 | 94.9 |
13C chemical shifts | 39 | 33 | 84.6 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70 GDDRKLMKTQEELTEIVRDHFSDMGEIATLYVQVYESSLESLVGGVIFEDGRHYTFVYENEDLVYEEEVL |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..DRKLMKTQEELTEIVRDHFSDMGEIATLYVQVYESSLESLVGGVIFEDGRHYTFVYENEDLVYEEEVL