Solution structure of Chr148 from Cytophaga hutchinsonii. Northeast Structural Genomics Consortium Target Chr148
GNKITVEVTV YAAIEKVWKY WNEPAHIMKW CQASPEWHVP AAQNDLKAGG TFTTTMAAKD GSMSFDFGGV YDQVKTNDLI EYTIGDGRKV RIVFTHTGDT TNIVESFDPE ETNPRELQQS GWQAILNSFK SYTENNLEHH HHHH
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 80.4 % (1345 of 1673) | 74.4 % (640 of 860) | 85.6 % (560 of 654) | 91.2 % (145 of 159) |
Backbone | 94.7 % (809 of 854) | 92.8 % (272 of 293) | 95.5 % (403 of 422) | 96.4 % (134 of 139) |
Sidechain | 69.8 % (665 of 953) | 64.9 % (368 of 567) | 78.1 % (286 of 366) | 55.0 % (11 of 20) |
Aromatic | 39.3 % (77 of 196) | 39.8 % (39 of 98) | 35.5 % (33 of 93) | 100.0 % (5 of 5) |
Methyl | 95.0 % (133 of 140) | 98.6 % (69 of 70) | 91.4 % (64 of 70) |
1. Chr148
GNKITVEVTV YAAIEKVWKY WNEPAHIMKW CQASPEWHVP AAQNDLKAGG TFTTTMAAKD GSMSFDFGGV YDQVKTNDLI EYTIGDGRKV RIVFTHTGDT TNIVESFDPE ETNPRELQQS GWQAILNSFK SYTENNLEHH HHHHSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Chr148 | natural abundance | 1 mM | |
2 | sodium azide | natural abundance | 3 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | sodium chloride | natural abundance | 200 mM | |
6 | MES | natural abundance | 20 mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.773 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.773 ppm | internal | direct | 1.0 |
15N | water | protons | 4.773 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.773 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.773 ppm | internal | direct | 1.0 |
15N | water | protons | 4.773 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.773 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.773 ppm | internal | direct | 1.0 |
15N | water | protons | 4.773 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.773 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.773 ppm | internal | direct | 1.0 |
15N | water | protons | 4.773 ppm | internal | indirect | 0.1013291 |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Chr148 | natural abundance | 1 mM | |
2 | sodium azide | natural abundance | 3 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | sodium chloride | natural abundance | 200 mM | |
6 | MES | natural abundance | 20 mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Chr148 | natural abundance | 1 mM | |
2 | sodium azide | natural abundance | 3 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | sodium chloride | natural abundance | 200 mM | |
6 | MES | natural abundance | 20 mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Chr148 | natural abundance | 1 mM | |
2 | sodium azide | natural abundance | 3 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | sodium chloride | natural abundance | 200 mM | |
6 | MES | natural abundance | 20 mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Chr148 | natural abundance | 1 mM | |
2 | sodium azide | natural abundance | 3 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | sodium chloride | natural abundance | 200 mM | |
6 | MES | natural abundance | 20 mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Chr148 | natural abundance | 1 mM | |
2 | sodium azide | natural abundance | 3 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | sodium chloride | natural abundance | 200 mM | |
6 | MES | natural abundance | 20 mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Chr148 | natural abundance | 1 mM | |
2 | sodium azide | natural abundance | 3 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | sodium chloride | natural abundance | 200 mM | |
6 | MES | natural abundance | 20 mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Chr148 | natural abundance | 1 mM | |
2 | sodium azide | natural abundance | 3 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | sodium chloride | natural abundance | 200 mM | |
6 | MES | natural abundance | 20 mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Chr148 | natural abundance | 1 mM | |
2 | sodium azide | natural abundance | 3 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | sodium chloride | natural abundance | 200 mM | |
6 | MES | natural abundance | 20 mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Chr148 | natural abundance | 1 mM | |
2 | sodium azide | natural abundance | 3 mM | |
3 | DTT | natural abundance | 10 mM | |
4 | calcium chloride | natural abundance | 5 mM | |
5 | sodium chloride | natural abundance | 200 mM | |
6 | MES | natural abundance | 20 mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints | combined_17420_2l8o.nef |
Input source #2: Coordindates | 2l8o.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 GNKITVEVTVYAAIEKVWKYWNEPAHIMKWCQASPEWHVPAAQNDLKAGGTFTTTMAAKDGSMSFDFGGVYDQVKTNDLIEYTIGDGRKVRIVFTHTGDT |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GNKITVEVTVYAAIEKVWKYWNEPAHIMKWCQASPEWHVPAAQNDLKAGGTFTTTMAAKDGSMSFDFGGVYDQVKTNDLIEYTIGDGRKVRIVFTHTGDT -------110-------120-------130-------140---- TNIVESFDPEETNPRELQQSGWQAILNSFKSYTENNLEHHHHHH |||||||||||||||||||||||||||||||||||||||||||| TNIVESFDPEETNPRELQQSGWQAILNSFKSYTENNLEHHHHHH
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 144 | 0 | 0 | 100.0 |
Content subtype: combined_17420_2l8o.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GNKITVEVTVYAAIEKVWKYWNEPAHIMKWCQASPEWHVPAAQNDLKAGGTFTTTMAAKDGSMSFDFGGVYDQVKTNDLIEYTIGDGRKVRIVFTHTGDT ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .NKITVEVTVYAAIEKVWKYWNEPAHIMKWCQASPEWHVPAAQNDLKAGGTFTTTMAAKDGSMSFDFGGVYDQVKTNDLIEYTIGDGRKVRIVFTHTGDT --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140---- TNIVESFDPEETNPRELQQSGWQAILNSFKSYTENNLEHHHHHH ||||||||||||||||||||||||||||||||||||||| TNIVESFDPEETNPRELQQSGWQAILNSFKSYTENNLEH -------110-------120-------130---------
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
71 | TYR | HH | 9.918 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 860 | 625 | 72.7 |
13C chemical shifts | 654 | 548 | 83.8 |
15N chemical shifts | 162 | 140 | 86.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 293 | 267 | 91.1 |
13C chemical shifts | 288 | 269 | 93.4 |
15N chemical shifts | 139 | 131 | 94.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 567 | 358 | 63.1 |
13C chemical shifts | 366 | 279 | 76.2 |
15N chemical shifts | 23 | 9 | 39.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 73 | 71 | 97.3 |
13C chemical shifts | 73 | 65 | 89.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 98 | 38 | 38.8 |
13C chemical shifts | 93 | 32 | 34.4 |
15N chemical shifts | 5 | 5 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GNKITVEVTVYAAIEKVWKYWNEPAHIMKWCQASPEWHVPAAQNDLKAGGTFTTTMAAKDGSMSFDFGGVYDQVKTNDLIEYTIGDGRKVRIVFTHTGDT |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| || .NKITVEVTVYAAIEKVWKYWNEPAHIMKWCQASPEWHVPAAQNDLKAGGTFTTTMAAKDGSMSFDFGGVYDQVKTNDLIEYTIGDGRKVRIVFTHT.DT --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140---- TNIVESFDPEETNPRELQQSGWQAILNSFKSYTENNLEHHHHHH |||||||||||||||||||||||||||||||||||||| TNIVESFDPEETNPRELQQSGWQAILNSFKSYTENNLE -------110-------120-------130--------
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GNKITVEVTVYAAIEKVWKYWNEPAHIMKWCQASPEWHVPAAQNDLKAGGTFTTTMAAKDGSMSFDFGGVYDQVKTNDLIEYTIGDGRKVRIVFTHTGDT ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||| || .NKITVEVTVYAAIEKVWKYWNEPAHIMKWCQASPEWHVPAAQNDLKAGGTFTTTMAAKDGSMSFDFGGVYDQVKT.DLIEYTIGDGRKVRIVFTHT.DT --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140---- TNIVESFDPEETNPRELQQSGWQAILNSFKSYTENNLEHHHHHH ||||||||||||||||||||||||||||||||||||| TNIVESFDPEETNPRELQQSGWQAILNSFKSYTENNL -------110-------120-------130-------
RDC restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GNKITVEVTVYAAIEKVWKYWNEPAHIMKWCQASPEWHVPAAQNDLKAGGTFTTTMAAKDGSMSFDFGGVYDQVKTNDLIEYTIGDGRKVRIVFTHTGDT |||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||| |||||||||||||||||||||||| |||||||||| ....TVEVTVYAAIEKVWKYWNEPAHIMKWCQASPEWH.PAAQNDLKAGGTFTTTMAAKDGSMS.DFGGVYDQVKTNDLIEYTIGDGRK.RIVFTHTGDT --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140---- TNIVESFDPEETNPRELQQSGWQAILNSFKSYTENNLEHHHHHH |||||||| || ||||||||||||||||||| || TNIVESFD.EE...RELQQSGWQAILNSFKSYT.NN -------110-------120-------130------