NMR strucutre of the hypothetical protein BACUNI_03114 from Bacteroides uniformis ATCC 8492
GDEDDKVEIP QLVGKWIVKE PVLQDDFVTC YTFNADKTYE VYTGSPLSNG VPFRGTYIIS LDEKLIKLYD KEEHCTEQYH ILKLTSKEMK WENASPKDGN SDKRLEKYND
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 89.9 % (1190 of 1324) | 96.5 % (669 of 693) | 78.7 % (406 of 516) | 100.0 % (115 of 115) |
Backbone | 86.2 % (560 of 650) | 98.2 % (217 of 221) | 73.5 % (238 of 324) | 100.0 % (105 of 105) |
Sidechain | 94.2 % (733 of 778) | 95.8 % (452 of 472) | 91.6 % (271 of 296) | 100.0 % (10 of 10) |
Aromatic | 77.1 % (91 of 118) | 88.1 % (52 of 59) | 64.9 % (37 of 57) | 100.0 % (2 of 2) |
Methyl | 100.0 % (106 of 106) | 100.0 % (53 of 53) | 100.0 % (53 of 53) |
1. entity
GDEDDKVEIP QLVGKWIVKE PVLQDDFVTC YTFNADKTYE VYTGSPLSNG VPFRGTYIIS LDEKLIKLYD KEEHCTEQYH ILKLTSKEMK WENASPKDGN SDKRLEKYNDSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 20 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium azide | natural abundance | 5 mM | |
4 | entity | [U-99% 13C; U-99% 15N] | 1.2 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 |
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 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium phosphate | natural abundance | 20 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium azide | natural abundance | 5 mM | |
4 | entity | [U-99% 13C; U-99% 15N] | 1.2 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 | sodium phosphate | natural abundance | 20 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium azide | natural abundance | 5 mM | |
4 | entity | [U-99% 13C; U-99% 15N] | 1.2 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 | sodium phosphate | natural abundance | 20 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium azide | natural abundance | 5 mM | |
4 | entity | [U-99% 13C; U-99% 15N] | 1.2 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 | sodium phosphate | natural abundance | 20 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium azide | natural abundance | 5 mM | |
4 | entity | [U-99% 13C; U-99% 15N] | 1.2 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 | sodium phosphate | natural abundance | 20 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium azide | natural abundance | 5 mM | |
4 | entity | [U-99% 13C; U-99% 15N] | 1.2 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 | sodium phosphate | natural abundance | 20 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium azide | natural abundance | 5 mM | |
4 | entity | [U-99% 13C; U-99% 15N] | 1.2 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 | sodium phosphate | natural abundance | 20 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium azide | natural abundance | 5 mM | |
4 | entity | [U-99% 13C; U-99% 15N] | 1.2 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_19627_2mhd.nef |
Input source #2: Coordindates | 2mhd.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 GDEDDKVEIPQLVGKWIVKEPVLQDDFVTCYTFNADKTYEVYTGSPLSNGVPFRGTYIISLDEKLIKLYDKEEHCTEQYHILKLTSKEMKWENASPKDGN |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GDEDDKVEIPQLVGKWIVKEPVLQDDFVTCYTFNADKTYEVYTGSPLSNGVPFRGTYIISLDEKLIKLYDKEEHCTEQYHILKLTSKEMKWENASPKDGN -------110 SDKRLEKYND |||||||||| SDKRLEKYND
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 110 | 0 | 0 | 100.0 |
Content subtype: combined_19627_2mhd.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GDEDDKVEIPQLVGKWIVKEPVLQDDFVTCYTFNADKTYEVYTGSPLSNGVPFRGTYIISLDEKLIKLYDKEEHCTEQYHILKLTSKEMKWENASPKDGN ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .DEDDKVEIPQLVGKWIVKEPVLQDDFVTCYTFNADKTYEVYTGSPLSNGVPFRGTYIISLDEKLIKLYDKEEHCTEQYHILKLTSKEMKWENASPKDGN -------110 SDKRLEKYND |||||||||| SDKRLEKYND
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 693 | 660 | 95.2 |
13C chemical shifts | 516 | 380 | 73.6 |
15N chemical shifts | 117 | 113 | 96.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 221 | 211 | 95.5 |
13C chemical shifts | 220 | 114 | 51.8 |
15N chemical shifts | 105 | 103 | 98.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 472 | 449 | 95.1 |
13C chemical shifts | 296 | 266 | 89.9 |
15N chemical shifts | 12 | 10 | 83.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 54 | 54 | 100.0 |
13C chemical shifts | 54 | 54 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 59 | 50 | 84.7 |
13C chemical shifts | 57 | 32 | 56.1 |
15N chemical shifts | 2 | 2 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GDEDDKVEIPQLVGKWIVKEPVLQDDFVTCYTFNADKTYEVYTGSPLSNGVPFRGTYIISLDEKLIKLYDKEEHCTEQYHILKLTSKEMKWENASPKDGN ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .DEDDKVEIPQLVGKWIVKEPVLQDDFVTCYTFNADKTYEVYTGSPLSNGVPFRGTYIISLDEKLIKLYDKEEHCTEQYHILKLTSKEMKWENASPKDGN -------110 SDKRLEKYND |||||||||| SDKRLEKYND