Solution NMR Structure of protein hp1203 from Helicobacter pylori 26695
MLEDYAISLE EVNFNDFIVV DVRELDEYEE LHLPNATLIS VNDQEKLADF LSQHKDKKVL LHCRAGRRAL DAAKSMHELG YTPYYLEGNV YDFEKYGFRM VYDDTCDKKN
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 96.1 % (1260 of 1311) | 98.1 % (667 of 680) | 93.0 % (479 of 515) | 98.3 % (114 of 116) |
Backbone | 98.3 % (645 of 656) | 98.6 % (219 of 222) | 98.2 % (320 of 326) | 98.1 % (106 of 108) |
Sidechain | 94.6 % (720 of 761) | 97.8 % (448 of 458) | 89.5 % (264 of 295) | 100.0 % (8 of 8) |
Aromatic | 73.8 % (96 of 130) | 92.3 % (60 of 65) | 55.4 % (36 of 65) | |
Methyl | 99.1 % (115 of 116) | 100.0 % (58 of 58) | 98.3 % (57 of 58) |
1. hp1203
MLEDYAISLE EVNFNDFIVV DVRELDEYEE LHLPNATLIS VNDQEKLADF LSQHKDKKVL LHCRAGRRAL DAAKSMHELG YTPYYLEGNV YDFEKYGFRM VYDDTCDKKNSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | unknown function protein hp1203 from Helicobacter pylori 26695 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | benzamidine | natural abundance | 10 mM | |
6 | H2O | 90 % | ||
7 | D2O | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | unknown function protein hp1203 from Helicobacter pylori 26695 | [U-7% 13C; U-99% 15N] | 0.5 mM | |
9 | TRIS | [U-100% 2H] | 10 mM | |
10 | sodium chloride | natural abundance | 300 mM | |
11 | sodium azide | natural abundance | 0.01 % | |
12 | benzamidine | natural abundance | 10 mM | |
13 | H2O | 90 % | ||
14 | D2O | 10 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Varian INOVA - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | unknown function protein hp1203 from Helicobacter pylori 26695 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | benzamidine | natural abundance | 10 mM | |
6 | H2O | 90 % | ||
7 | D2O | 10 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | unknown function protein hp1203 from Helicobacter pylori 26695 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | benzamidine | natural abundance | 10 mM | |
6 | H2O | 90 % | ||
7 | D2O | 10 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | unknown function protein hp1203 from Helicobacter pylori 26695 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | benzamidine | natural abundance | 10 mM | |
6 | H2O | 90 % | ||
7 | D2O | 10 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | unknown function protein hp1203 from Helicobacter pylori 26695 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | benzamidine | natural abundance | 10 mM | |
6 | H2O | 90 % | ||
7 | D2O | 10 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | unknown function protein hp1203 from Helicobacter pylori 26695 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | benzamidine | natural abundance | 10 mM | |
6 | H2O | 90 % | ||
7 | D2O | 10 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | unknown function protein hp1203 from Helicobacter pylori 26695 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | benzamidine | natural abundance | 10 mM | |
6 | H2O | 90 % | ||
7 | D2O | 10 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | unknown function protein hp1203 from Helicobacter pylori 26695 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | benzamidine | natural abundance | 10 mM | |
6 | H2O | 90 % | ||
7 | D2O | 10 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | unknown function protein hp1203 from Helicobacter pylori 26695 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | benzamidine | natural abundance | 10 mM | |
6 | H2O | 90 % | ||
7 | D2O | 10 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | unknown function protein hp1203 from Helicobacter pylori 26695 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | benzamidine | natural abundance | 10 mM | |
6 | H2O | 90 % | ||
7 | D2O | 10 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | unknown function protein hp1203 from Helicobacter pylori 26695 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | benzamidine | natural abundance | 10 mM | |
6 | H2O | 90 % | ||
7 | D2O | 10 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | unknown function protein hp1203 from Helicobacter pylori 26695 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | benzamidine | natural abundance | 10 mM | |
6 | H2O | 90 % | ||
7 | D2O | 10 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | unknown function protein hp1203 from Helicobacter pylori 26695 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | benzamidine | natural abundance | 10 mM | |
6 | H2O | 90 % | ||
7 | D2O | 10 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | unknown function protein hp1203 from Helicobacter pylori 26695 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | benzamidine | natural abundance | 10 mM | |
6 | H2O | 90 % | ||
7 | D2O | 10 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | unknown function protein hp1203 from Helicobacter pylori 26695 | [U-99% 13C; U-99% 15N] | 0.5 mM | |
2 | TRIS | [U-100% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | benzamidine | natural abundance | 10 mM | |
6 | H2O | 90 % | ||
7 | D2O | 10 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | unknown function protein hp1203 from Helicobacter pylori 26695 | [U-7% 13C; U-99% 15N] | 0.5 mM | |
9 | TRIS | [U-100% 2H] | 10 mM | |
10 | sodium chloride | natural abundance | 300 mM | |
11 | sodium azide | natural abundance | 0.01 % | |
12 | benzamidine | natural abundance | 10 mM | |
13 | H2O | 90 % | ||
14 | D2O | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_15661_2k0z.nef |
Input source #2: Coordindates | 2k0z.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 MLEDYAISLEEVNFNDFIVVDVRELDEYEELHLPNATLISVNDQEKLADFLSQHKDKKVLLHCRAGRRALDAAKSMHELGYTPYYLEGNVYDFEKYGFRM |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MLEDYAISLEEVNFNDFIVVDVRELDEYEELHLPNATLISVNDQEKLADFLSQHKDKKVLLHCRAGRRALDAAKSMHELGYTPYYLEGNVYDFEKYGFRM -------110 VYDDTCDKKN |||||||||| VYDDTCDKKN
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_15661_2k0z.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MLEDYAISLEEVNFNDFIVVDVRELDEYEELHLPNATLISVNDQEKLADFLSQHKDKKVLLHCRAGRRALDAAKSMHELGYTPYYLEGNVYDFEKYGFRM |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MLEDYAISLEEVNFNDFIVVDVRELDEYEELHLPNATLISVNDQEKLADFLSQHKDKKVLLHCRAGRRALDAAKSMHELGYTPYYLEGNVYDFEKYGFRM -------110 VYDDTCDKKN |||||||||| VYDDTCDKKN
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
23 | ARG | HH11 | 8.199 |
23 | ARG | HH21 | 11.352 |
23 | ARG | NH1 | 76.066 |
37 | THR | HG1 | 6.581 |
62 | HIS | HD1 | 11.844 |
62 | HIS | ND1 | 199.783 |
67 | ARG | HH11 | 8.538 |
67 | ARG | HH21 | 9.268 |
67 | ARG | NH1 | 87.074 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 680 | 667 | 98.1 |
13C chemical shifts | 515 | 479 | 93.0 |
15N chemical shifts | 121 | 116 | 95.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 222 | 219 | 98.6 |
13C chemical shifts | 220 | 215 | 97.7 |
15N chemical shifts | 108 | 106 | 98.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 458 | 448 | 97.8 |
13C chemical shifts | 295 | 264 | 89.5 |
15N chemical shifts | 13 | 10 | 76.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 61 | 61 | 100.0 |
13C chemical shifts | 61 | 60 | 98.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 65 | 60 | 92.3 |
13C chemical shifts | 65 | 36 | 55.4 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MLEDYAISLEEVNFNDFIVVDVRELDEYEELHLPNATLISVNDQEKLADFLSQHKDKKVLLHCRAGRRALDAAKSMHELGYTPYYLEGNVYDFEKYGFRM |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MLEDYAISLEEVNFNDFIVVDVRELDEYEELHLPNATLISVNDQEKLADFLSQHKDKKVLLHCRAGRRALDAAKSMHELGYTPYYLEGNVYDFEKYGFRM -------110 VYDDTCDKKN |||||||||| VYDDTCDKKN
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MLEDYAISLEEVNFNDFIVVDVRELDEYEELHLPNATLISVNDQEKLADFLSQHKDKKVLLHCRAGRRALDAAKSMHELGYTPYYLEGNVYDFEKYGFRM | | | || ||||||||||| ||| | | | | ||||||||||| |||||| ||||||||||||| |||| || || .L..Y.I.....NF.DFIVVDVRELD.YEE.H..N.T.I...DQEKLADFLSQ....KVLLHC..GRRALDAAKSMHE.....YYLE....DF..YG... --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110 VYDDTCDKKN | V -
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MLEDYAISLEEVNFNDFIVVDVRELDEYEELHLPNATLISVNDQEKLADFLSQHKDKKVLLHCRAGRRALDAAKSMHELGYTPYYLEGNVYDFEKYGFRM ||||||||| ||||||||||||||||||||||||||||| |||||||||||| ||||||||| |||||||||||||||| |||||||||||||||||| MLEDYAISL...NFNDFIVVDVRELDEYEELHLPNATLISV.DQEKLADFLSQH.DKKVLLHCR.GRRALDAAKSMHELGY.PYYLEGNVYDFEKYGFRM --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110 VYDDTCDKKN ||| VYD ---