NMR structure of the hypothetical protein ZP_02034617.1 from Bacteroides capillosus ATCC 29799
GSHEGEPVVG MDKSLFAGNT VIREITVQPN IGLLYDGMFS GCTALEKLIL TGEDPSAYSA GDGLRDGADF LICVPEEALD RYRRDYFWQT YAAWIQPMEQ
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 87.2 % (985 of 1130) | 96.4 % (561 of 582) | 72.8 % (324 of 445) | 97.1 % (100 of 103) |
Backbone | 81.2 % (479 of 590) | 97.1 % (200 of 206) | 64.7 % (187 of 289) | 96.8 % (92 of 95) |
Sidechain | 94.6 % (595 of 629) | 96.0 % (361 of 376) | 92.2 % (226 of 245) | 100.0 % (8 of 8) |
Aromatic | 74.1 % (80 of 108) | 83.3 % (45 of 54) | 63.5 % (33 of 52) | 100.0 % (2 of 2) |
Methyl | 100.0 % (106 of 106) | 100.0 % (53 of 53) | 100.0 % (53 of 53) |
1. ZP 02034617.1
GSHEGEPVVG MDKSLFAGNT VIREITVQPN IGLLYDGMFS GCTALEKLIL TGEDPSAYSA GDGLRDGADF LICVPEEALD RYRRDYFWQT YAAWIQPMEQSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ZP_02034617.1 | [U-99% 13C; U-99% 15N] | 1.2 mM | |
2 | potassium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | sodium azide | natural abundance | 4.5 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 Bruker Avance equipped with cryo-probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ZP_02034617.1 | [U-99% 13C; U-99% 15N] | 1.2 mM | |
2 | potassium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | sodium azide | natural abundance | 4.5 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz Bruker Avance equipped with cryo-probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ZP_02034617.1 | [U-99% 13C; U-99% 15N] | 1.2 mM | |
2 | potassium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | sodium azide | natural abundance | 4.5 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz Bruker Avance equipped with cryo-probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ZP_02034617.1 | [U-99% 13C; U-99% 15N] | 1.2 mM | |
2 | potassium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | sodium azide | natural abundance | 4.5 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz Bruker Avance equipped with cryo-probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ZP_02034617.1 | [U-99% 13C; U-99% 15N] | 1.2 mM | |
2 | potassium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | sodium azide | natural abundance | 4.5 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 | ZP_02034617.1 | [U-99% 13C; U-99% 15N] | 1.2 mM | |
2 | potassium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | sodium azide | natural abundance | 4.5 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 | ZP_02034617.1 | [U-99% 13C; U-99% 15N] | 1.2 mM | |
2 | potassium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | sodium azide | natural abundance | 4.5 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 | ZP_02034617.1 | [U-99% 13C; U-99% 15N] | 1.2 mM | |
2 | potassium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | sodium azide | natural abundance | 4.5 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_18734_2lz0.nef |
Input source #2: Coordindates | 2lz0.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 GSHEGEPVVGMDKSLFAGNTVIREITVQPNIGLLYDGMFSGCTALEKLILTGEDPSAYSAGDGLRDGADFLICVPEEALDRYRRDYFWQTYAAWIQPMEQ |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSHEGEPVVGMDKSLFAGNTVIREITVQPNIGLLYDGMFSGCTALEKLILTGEDPSAYSAGDGLRDGADFLICVPEEALDRYRRDYFWQTYAAWIQPMEQ
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 100 | 0 | 0 | 100.0 |
Content subtype: combined_18734_2lz0.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GSHEGEPVVGMDKSLFAGNTVIREITVQPNIGLLYDGMFSGCTALEKLILTGEDPSAYSAGDGLRDGADFLICVPEEALDRYRRDYFWQTYAAWIQPMEQ ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .SHEGEPVVGMDKSLFAGNTVIREITVQPNIGLLYDGMFSGCTALEKLILTGEDPSAYSAGDGLRDGADFLICVPEEALDRYRRDYFWQTYAAWIQPMEQ
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 582 | 561 | 96.4 |
13C chemical shifts | 445 | 315 | 70.8 |
15N chemical shifts | 108 | 100 | 92.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 206 | 200 | 97.1 |
13C chemical shifts | 200 | 89 | 44.5 |
15N chemical shifts | 95 | 92 | 96.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 376 | 361 | 96.0 |
13C chemical shifts | 245 | 226 | 92.2 |
15N chemical shifts | 13 | 8 | 61.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 56 | 56 | 100.0 |
13C chemical shifts | 56 | 56 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 54 | 45 | 83.3 |
13C chemical shifts | 52 | 33 | 63.5 |
15N chemical shifts | 2 | 2 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GSHEGEPVVGMDKSLFAGNTVIREITVQPNIGLLYDGMFSGCTALEKLILTGEDPSAYSAGDGLRDGADFLICVPEEALDRYRRDYFWQTYAAWIQPMEQ |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..HEGEPVVGMDKSLFAGNTVIREITVQPNIGLLYDGMFSGCTALEKLILTGEDPSAYSAGDGLRDGADFLICVPEEALDRYRRDYFWQTYAAWIQPMEQ