A protein from Haloferax volcanii
MEWKLFADLA EVAGSRTVRV DVDGDATVGD ALDALVGAHP ALESRVFGDD GELYDHINVL RNGEAAALGE ATAAGDELAL FPPVSGGMEW KLFADLAEVA GSRTVRVDVD GDATVGDALD ALVGAHPALE SRVFGDDGEL YDHINVLRNG EAAALGEATA AGDELALFPP VSGG
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 39.6 % (708 of 1788) | 41.9 % (376 of 898) | 33.9 % (243 of 716) | 51.1 % (89 of 174) |
Backbone | 48.4 % (499 of 1032) | 50.8 % (185 of 364) | 45.0 % (225 of 500) | 53.0 % (89 of 168) |
Sidechain | 31.6 % (287 of 908) | 36.0 % (192 of 534) | 25.8 % (95 of 368) | 0.0 % (0 of 6) |
Aromatic | 0.0 % (0 of 116) | 0.0 % (0 of 58) | 0.0 % (0 of 56) | 0.0 % (0 of 2) |
Methyl | 41.4 % (96 of 232) | 56.0 % (65 of 116) | 26.7 % (31 of 116) |
1. entity
MEWKLFADLA EVAGSRTVRV DVDGDATVGD ALDALVGAHP ALESRVFGDD GELYDHINVL RNGEAAALGE ATAAGDELAL FPPVSGGMEW KLFADLAEVA GSRTVRVDVD GDATVGDALD ALVGAHPALE SRVFGDDGEL YDHINVLRNG EAAALGEATA AGDELALFPP VSGGSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 100 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | protein from Haloferax volcanii | 0.6 mM | ||
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | sodium chloride | natural abundance | 100 mM | |
7 | sodium phosphate | natural abundance | 20 mM | |
8 | protein from Haloferax volcanii | 0.6 mM | ||
9 | D2O | natural abundance | 100 % |
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 |
31P | DSS | methyl protons | 0.0 ppm | null | indirect | 0.4048086 |
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 |
31P | DSS | methyl protons | 0.0 ppm | null | indirect | 0.4048086 |
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 |
31P | DSS | methyl protons | 0.0 ppm | null | indirect | 0.4048086 |
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 |
31P | DSS | methyl protons | 0.0 ppm | null | indirect | 0.4048086 |
Bruker DMX - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 100 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | protein from Haloferax volcanii | 0.6 mM | ||
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker DMX - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 100 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | protein from Haloferax volcanii | 0.6 mM | ||
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker DMX - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 100 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | protein from Haloferax volcanii | 0.6 mM | ||
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker DMX - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 100 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | protein from Haloferax volcanii | 0.6 mM | ||
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker DMX - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 100 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | protein from Haloferax volcanii | 0.6 mM | ||
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker DMX - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 100 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | protein from Haloferax volcanii | 0.6 mM | ||
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker DMX - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 100 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | protein from Haloferax volcanii | 0.6 mM | ||
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker DMX - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 100 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | protein from Haloferax volcanii | 0.6 mM | ||
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker DMX - 500 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | sodium chloride | natural abundance | 100 mM | |
7 | sodium phosphate | natural abundance | 20 mM | |
8 | protein from Haloferax volcanii | 0.6 mM | ||
9 | D2O | natural abundance | 100 % |
Bruker DMX - 500 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | sodium chloride | natural abundance | 100 mM | |
7 | sodium phosphate | natural abundance | 20 mM | |
8 | protein from Haloferax volcanii | 0.6 mM | ||
9 | D2O | natural abundance | 100 % |
Bruker DMX - 500 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | sodium chloride | natural abundance | 100 mM | |
7 | sodium phosphate | natural abundance | 20 mM | |
8 | protein from Haloferax volcanii | 0.6 mM | ||
9 | D2O | natural abundance | 100 % |
Bruker DMX - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 100 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | protein from Haloferax volcanii | 0.6 mM | ||
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_17391_2l83.nef |
Input source #2: Coordindates | 2l83.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----- MEWKLFADLAEVAGSRTVRVDVDGDATVGDALDALVGAHPALESRVFGDDGELYDHINVLRNGEAAALGEATAAGDELALFPPVSGGLEHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MEWKLFADLAEVAGSRTVRVDVDGDATVGDALDALVGAHPALESRVFGDDGELYDHINVLRNGEAAALGEATAAGDELALFPPVSGGLEHHHHHH
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 95 | 0 | 0 | 100.0 |
Content subtype: combined_17391_2l83.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90----- MEWKLFADLAEVAGSRTVRVDVDGDATVGDALDALVGAHPALESRVFGDDGELYDHINVLRNGEAAALGEATAAGDELALFPPVSGGLEHHHHHH |||||||||||||||||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||||| || .EWKLFADLAEVAGSRTVRVDVDGDATVGDALDALVGAHPALESRVFGDDGELYD..NVLRNGEAAALGEATAAGDELALF..VS --------10--------20--------30--------40--------50--------60--------70--------80-----
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
27 | THR | HG1 | 7.021 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 498 | 306 | 61.4 |
13C chemical shifts | 398 | 183 | 46.0 |
15N chemical shifts | 99 | 75 | 75.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 198 | 152 | 76.8 |
13C chemical shifts | 190 | 118 | 62.1 |
15N chemical shifts | 92 | 75 | 81.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 300 | 154 | 51.3 |
13C chemical shifts | 208 | 65 | 31.2 |
15N chemical shifts | 7 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 61 | 51 | 83.6 |
13C chemical shifts | 61 | 14 | 23.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 41 | 0 | 0.0 |
13C chemical shifts | 40 | 0 | 0.0 |
15N chemical shifts | 1 | 0 | 0.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90----- MEWKLFADLAEVAGSRTVRVDVDGDATVGDALDALVGAHPALESRVFGDDGELYDHINVLRNGEAAALGEATAAGDELALFPPVSGGLEHHHHHH |||||||||||||||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||| |||| .EWKLFADLAEVAGSRTVRVDVDGDATVGDALDALVGAHPALESRVFGDDGEL..HINVLRNGEAAALGEATAAGDELALF.PVSG --------10--------20--------30--------40--------50--------60--------70--------80------
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90----- MEWKLFADLAEVAGSRTVRVDVDGDATVGDALDALVGAHPALESRVFGDDGELYDHINVLRNGEAAALGEATAAGDELALFPPVSGGLEHHHHHH |||||||||||||| |||||||||||||||||||||||||||||| ||| |||||||||||||||| ||||| |||||| MEWKLFADLAEVAG.RTVRVDVDGDATVGDALDALVGAHPALESR...DDG.LYDHINVLRNGEAAAL.EATAA..ELALFP --------10--------20--------30--------40--------50--------60--------70--------80--