NMR structure of hypothetical protein ZP_02069618.1 from Bacteroides uniformis ATCC 8492.
GAEEEDFKTF LQKFTSSASF QYSRIKFPLK SPIALLKDDG ETEQTFPFTR EKWALLDEET LKEGRTTEEE GGTYISHFTV NEPAHKEFEA GYDESEPSLR VVFELTDGKW YVTDCYNDWY NFDLPINELE ETIQAVQEEN KAFEELHP
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 87.7 % (1556 of 1774) | 95.2 % (878 of 922) | 75.2 % (525 of 698) | 99.4 % (153 of 154) |
Backbone | 84.2 % (736 of 874) | 96.6 % (286 of 296) | 70.9 % (310 of 437) | 99.3 % (140 of 141) |
Sidechain | 92.2 % (960 of 1041) | 94.6 % (592 of 626) | 88.3 % (355 of 402) | 100.0 % (13 of 13) |
Aromatic | 67.6 % (146 of 216) | 75.9 % (82 of 108) | 58.1 % (61 of 105) | 100.0 % (3 of 3) |
Methyl | 96.9 % (126 of 130) | 96.9 % (63 of 65) | 96.9 % (63 of 65) |
1. entity
GAEEEDFKTF LQKFTSSASF QYSRIKFPLK SPIALLKDDG ETEQTFPFTR EKWALLDEET LKEGRTTEEE GGTYISHFTV NEPAHKEFEA GYDESEPSLR VVFELTDGKW YVTDCYNDWY NFDLPINELE ETIQAVQEEN KAFEELHPSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 1.2 mM | |
2 | sodium azide | natural abundance | 0.03 % | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | sodium phosphate | natural abundance | 20 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
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 1.2 mM | |
2 | sodium azide | natural abundance | 0.03 % | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | sodium phosphate | natural abundance | 20 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
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 1.2 mM | |
2 | sodium azide | natural abundance | 0.03 % | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | sodium phosphate | natural abundance | 20 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
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 1.2 mM | |
2 | sodium azide | natural abundance | 0.03 % | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | sodium phosphate | natural abundance | 20 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
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 1.2 mM | |
2 | sodium azide | natural abundance | 0.03 % | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | sodium phosphate | natural abundance | 20 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
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 1.2 mM | |
2 | sodium azide | natural abundance | 0.03 % | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | sodium phosphate | natural abundance | 20 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
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 1.2 mM | |
2 | sodium azide | natural abundance | 0.03 % | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | sodium phosphate | natural abundance | 20 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
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 1.2 mM | |
2 | sodium azide | natural abundance | 0.03 % | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | sodium phosphate | natural abundance | 20 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_19807_2ml6.nef |
Input source #2: Coordindates | 2ml6.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 GAEEEDFKTFLQKFTSSASFQYSRIKFPLKSPIALLKDDGETEQTFPFTREKWALLDEETLKEGRTTEEEGGTYISHFTVNEPAHKEFEAGYDESEPSLR |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GAEEEDFKTFLQKFTSSASFQYSRIKFPLKSPIALLKDDGETEQTFPFTREKWALLDEETLKEGRTTEEEGGTYISHFTVNEPAHKEFEAGYDESEPSLR -------110-------120-------130-------140-------- VVFELTDGKWYVTDCYNDWYNFDLPINELEETIQAVQEENKAFEELHP |||||||||||||||||||||||||||||||||||||||||||||||| VVFELTDGKWYVTDCYNDWYNFDLPINELEETIQAVQEENKAFEELHP
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 148 | 0 | 0 | 100.0 |
Content subtype: combined_19807_2ml6.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GAEEEDFKTFLQKFTSSASFQYSRIKFPLKSPIALLKDDGETEQTFPFTREKWALLDEETLKEGRTTEEEGGTYISHFTVNEPAHKEFEAGYDESEPSLR |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GAEEEDFKTFLQKFTSSASFQYSRIKFPLKSPIALLKDDGETEQTFPFTREKWALLDEETLKEGRTTEEEGGTYISHFTVNEPAHKEFEAGYDESEPSLR -------110-------120-------130-------140-------- VVFELTDGKWYVTDCYNDWYNFDLPINELEETIQAVQEENKAFEELHP |||||||||||||||||||||||||||||||||||||||||||||||| VVFELTDGKWYVTDCYNDWYNFDLPINELEETIQAVQEENKAFEELHP
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 922 | 887 | 96.2 |
13C chemical shifts | 698 | 496 | 71.1 |
15N chemical shifts | 158 | 157 | 99.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 296 | 294 | 99.3 |
13C chemical shifts | 296 | 147 | 49.7 |
15N chemical shifts | 141 | 140 | 99.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 626 | 593 | 94.7 |
13C chemical shifts | 402 | 349 | 86.8 |
15N chemical shifts | 17 | 17 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 65 | 65 | 100.0 |
13C chemical shifts | 65 | 64 | 98.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 108 | 75 | 69.4 |
13C chemical shifts | 105 | 53 | 50.5 |
15N chemical shifts | 3 | 3 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GAEEEDFKTFLQKFTSSASFQYSRIKFPLKSPIALLKDDGETEQTFPFTREKWALLDEETLKEGRTTEEEGGTYISHFTVNEPAHKEFEAGYDESEPSLR |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GAEEEDFKTFLQKFTSSASFQYSRIKFPLKSPIALLKDDGETEQTFPFTREKWALLDEETLKEGRTTEEEGGTYISHFTVNEPAHKEFEAGYDESEPSLR -------110-------120-------130-------140-------- VVFELTDGKWYVTDCYNDWYNFDLPINELEETIQAVQEENKAFEELHP |||||||||||||||||||||||||||||||||||||||||||||||| VVFELTDGKWYVTDCYNDWYNFDLPINELEETIQAVQEENKAFEELHP