NMR structure of the putative ATPase regulatory protein YP_916642.1 from Paracoccus denitrificans
MTTFDDRERA HEAKFAHDAE LNFKAEARRN RLLGEWAAGL LGKTGDDARA YALTVVTSDF DEPGDEDVFR KLAADLEGKA DEETIRAKMV ELRATAREQI ISEI
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 83.5 % (974 of 1167) | 83.3 % (503 of 604) | 82.0 % (374 of 456) | 90.7 % (97 of 107) |
Backbone | 87.8 % (546 of 622) | 91.1 % (194 of 213) | 84.3 % (258 of 306) | 91.3 % (94 of 103) |
Sidechain | 80.6 % (518 of 643) | 79.0 % (309 of 391) | 82.7 % (205 of 248) | 100.0 % (4 of 4) |
Aromatic | 53.8 % (42 of 78) | 53.8 % (21 of 39) | 52.6 % (20 of 38) | 100.0 % (1 of 1) |
Methyl | 93.1 % (108 of 116) | 93.1 % (54 of 58) | 93.1 % (54 of 58) |
1. entity
MTTFDDRERA HEAKFAHDAE LNFKAEARRN RLLGEWAAGL LGKTGDDARA YALTVVTSDF DEPGDEDVFR KLAADLEGKA DEETIRAKMV ELRATAREQI ISEISolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | YP_916642.1 | [U-98% 13C; U-98% 15N] | 1.5 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium phosphate | natural abundance | 25 mM | |
4 | sodium azide | natural abundance | 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 |
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 | YP_916642.1 | [U-98% 13C; U-98% 15N] | 1.5 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium phosphate | natural abundance | 25 mM | |
4 | sodium azide | natural abundance | 5 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 | YP_916642.1 | [U-98% 13C; U-98% 15N] | 1.5 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium phosphate | natural abundance | 25 mM | |
4 | sodium azide | natural abundance | 5 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 | YP_916642.1 | [U-98% 13C; U-98% 15N] | 1.5 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium phosphate | natural abundance | 25 mM | |
4 | sodium azide | natural abundance | 5 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 | YP_916642.1 | [U-98% 13C; U-98% 15N] | 1.5 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium phosphate | natural abundance | 25 mM | |
4 | sodium azide | natural abundance | 5 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 | YP_916642.1 | [U-98% 13C; U-98% 15N] | 1.5 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium phosphate | natural abundance | 25 mM | |
4 | sodium azide | natural abundance | 5 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 | YP_916642.1 | [U-98% 13C; U-98% 15N] | 1.5 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium phosphate | natural abundance | 25 mM | |
4 | sodium azide | natural abundance | 5 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 | YP_916642.1 | [U-98% 13C; U-98% 15N] | 1.5 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | sodium phosphate | natural abundance | 25 mM | |
4 | sodium azide | natural abundance | 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_18018_2ll0.nef |
Input source #2: Coordindates | 2ll0.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 MTTFDDRERAHEAKFAHDAELNFKAEARRNRLLGEWAAGLLGKTGDDARAYALTVVTSDFDEPGDEDVFRKLAADLEGKADEETIRAKMVELRATAREQI |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MTTFDDRERAHEAKFAHDAELNFKAEARRNRLLGEWAAGLLGKTGDDARAYALTVVTSDFDEPGDEDVFRKLAADLEGKADEETIRAKMVELRATAREQI ---- ISEI |||| ISEI
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 104 | 0 | 0 | 100.0 |
Content subtype: combined_18018_2ll0.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MTTFDDRERAHEAKFAHDAELNFKAEARRNRLLGEWAAGLLGKTGDDARAYALTVVTSDFDEPGDEDVFRKLAADLEGKADEETIRAKMVELRATAREQI | |||||||||||||||||||||||||||||||||||||||||||||||||||||| ||| |||||||||||||||||||||||||||||||||| ...F..RERAHEAKFAHDAELNFKAEARRNRLLGEWAAGLLGKTGDDARAYALTVVTSDF..PGD.DVFRKLAADLEGKADEETIRAKMVELRATAREQI ---- ISEI |||| ISEI
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 604 | 487 | 80.6 |
13C chemical shifts | 456 | 360 | 78.9 |
15N chemical shifts | 117 | 98 | 83.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 213 | 196 | 92.0 |
13C chemical shifts | 208 | 160 | 76.9 |
15N chemical shifts | 103 | 94 | 91.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 391 | 291 | 74.4 |
13C chemical shifts | 248 | 200 | 80.6 |
15N chemical shifts | 14 | 4 | 28.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 60 | 53 | 88.3 |
13C chemical shifts | 60 | 55 | 91.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 39 | 21 | 53.8 |
13C chemical shifts | 38 | 20 | 52.6 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MTTFDDRERAHEAKFAHDAELNFKAEARRNRLLGEWAAGLLGKTGDDARAYALTVVTSDFDEPGDEDVFRKLAADLEGKADEETIRAKMVELRATAREQI | |||||||||||||||||||||||||||||||||||||||||||||||||||||| ||| |||||||||||||||||||||||||||||||||| ...F..RERAHEAKFAHDAELNFKAEARRNRLLGEWAAGLLGKTGDDARAYALTVVTSDF..PGD.DVFRKLAADLEGKADEETIRAKMVELRATAREQI ---- ISEI |||| ISEI