Solution NMR structure of protein CV0237 from Chromobacterium violaceum. Northeast Structural Genomics Consortium (NESG) target CvT1.
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 84.7 % (788 of 930) | 84.0 % (405 of 482) | 86.6 % (317 of 366) | 80.5 % (66 of 82) |
Backbone | 90.1 % (427 of 474) | 89.4 % (143 of 160) | 91.3 % (220 of 241) | 87.7 % (64 of 73) |
Sidechain | 81.8 % (436 of 533) | 81.4 % (262 of 322) | 85.1 % (172 of 202) | 22.2 % (2 of 9) |
Aromatic | 34.2 % (26 of 76) | 34.2 % (13 of 38) | 30.6 % (11 of 36) | 100.0 % (2 of 2) |
Methyl | 100.0 % (94 of 94) | 100.0 % (47 of 47) | 100.0 % (47 of 47) |
1. CV0237
QGHMDTSNHL LPGLFRQLGL EDEPAAIRAF IDSHPLPPRV PLPEAPFWTP AQAAFLRQAL ECDAEWSEAA DGLAVLLQQG EASolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CV0237 | [U-99% 13C; U-99% 15N] | 0.4 ~ 0.7 mM | |
2 | TRIS | [U-99% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | DTT | [U-99% 2H] | 10 mM | |
5 | sodium azide | natural abundance | 0.01 % | |
6 | Zinc Sulfate | natural abundance | 10 uM | |
7 | Roche inhibitor cocktail | natural abundance | 1 na | |
8 | H20 | natural abundance | 90 % | |
9 | D20 | natural abundance | 10 % |
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 | -0.07 ppm | external | 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 | -0.07 ppm | external | 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 | -0.07 ppm | external | 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 | -0.07 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Bruker Avance - 600 MHz with cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CV0237 | [U-99% 13C; U-99% 15N] | 0.4 ~ 0.7 mM | |
2 | TRIS | [U-99% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | DTT | [U-99% 2H] | 10 mM | |
5 | sodium azide | natural abundance | 0.01 % | |
6 | Zinc Sulfate | natural abundance | 10 uM | |
7 | Roche inhibitor cocktail | natural abundance | 1 na | |
8 | H20 | natural abundance | 90 % | |
9 | D20 | natural abundance | 10 % |
Bruker Avance - 600 MHz with cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CV0237 | [U-99% 13C; U-99% 15N] | 0.4 ~ 0.7 mM | |
2 | TRIS | [U-99% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | DTT | [U-99% 2H] | 10 mM | |
5 | sodium azide | natural abundance | 0.01 % | |
6 | Zinc Sulfate | natural abundance | 10 uM | |
7 | Roche inhibitor cocktail | natural abundance | 1 na | |
8 | H20 | natural abundance | 90 % | |
9 | D20 | natural abundance | 10 % |
Bruker Avance - 500 MHz with cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CV0237 | [U-99% 13C; U-99% 15N] | 0.4 ~ 0.7 mM | |
2 | TRIS | [U-99% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | DTT | [U-99% 2H] | 10 mM | |
5 | sodium azide | natural abundance | 0.01 % | |
6 | Zinc Sulfate | natural abundance | 10 uM | |
7 | Roche inhibitor cocktail | natural abundance | 1 na | |
8 | H20 | natural abundance | 90 % | |
9 | D20 | natural abundance | 10 % |
Bruker Avance - 500 MHz with cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CV0237 | [U-99% 13C; U-99% 15N] | 0.4 ~ 0.7 mM | |
2 | TRIS | [U-99% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | DTT | [U-99% 2H] | 10 mM | |
5 | sodium azide | natural abundance | 0.01 % | |
6 | Zinc Sulfate | natural abundance | 10 uM | |
7 | Roche inhibitor cocktail | natural abundance | 1 na | |
8 | H20 | natural abundance | 90 % | |
9 | D20 | natural abundance | 10 % |
Bruker Avance - 500 MHz with cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CV0237 | [U-99% 13C; U-99% 15N] | 0.4 ~ 0.7 mM | |
2 | TRIS | [U-99% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | DTT | [U-99% 2H] | 10 mM | |
5 | sodium azide | natural abundance | 0.01 % | |
6 | Zinc Sulfate | natural abundance | 10 uM | |
7 | Roche inhibitor cocktail | natural abundance | 1 na | |
8 | H20 | natural abundance | 90 % | |
9 | D20 | natural abundance | 10 % |
Bruker Avance - 500 MHz with cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CV0237 | [U-99% 13C; U-99% 15N] | 0.4 ~ 0.7 mM | |
2 | TRIS | [U-99% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | DTT | [U-99% 2H] | 10 mM | |
5 | sodium azide | natural abundance | 0.01 % | |
6 | Zinc Sulfate | natural abundance | 10 uM | |
7 | Roche inhibitor cocktail | natural abundance | 1 na | |
8 | H20 | natural abundance | 90 % | |
9 | D20 | natural abundance | 10 % |
Bruker Avance - 800 MHz with cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CV0237 | [U-99% 13C; U-99% 15N] | 0.4 ~ 0.7 mM | |
2 | TRIS | [U-99% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | DTT | [U-99% 2H] | 10 mM | |
5 | sodium azide | natural abundance | 0.01 % | |
6 | Zinc Sulfate | natural abundance | 10 uM | |
7 | Roche inhibitor cocktail | natural abundance | 1 na | |
8 | H20 | natural abundance | 90 % | |
9 | D20 | natural abundance | 10 % |
Bruker Avance - 800 MHz with cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CV0237 | [U-99% 13C; U-99% 15N] | 0.4 ~ 0.7 mM | |
2 | TRIS | [U-99% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | DTT | [U-99% 2H] | 10 mM | |
5 | sodium azide | natural abundance | 0.01 % | |
6 | Zinc Sulfate | natural abundance | 10 uM | |
7 | Roche inhibitor cocktail | natural abundance | 1 na | |
8 | H20 | natural abundance | 90 % | |
9 | D20 | natural abundance | 10 % |
Bruker Avance - 600 MHz with cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CV0237 | [U-99% 13C; U-99% 15N] | 0.4 ~ 0.7 mM | |
2 | TRIS | [U-99% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | DTT | [U-99% 2H] | 10 mM | |
5 | sodium azide | natural abundance | 0.01 % | |
6 | Zinc Sulfate | natural abundance | 10 uM | |
7 | Roche inhibitor cocktail | natural abundance | 1 na | |
8 | H20 | natural abundance | 90 % | |
9 | D20 | natural abundance | 10 % |
Bruker Avance - 600 MHz with cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CV0237 | [U-99% 13C; U-99% 15N] | 0.4 ~ 0.7 mM | |
2 | TRIS | [U-99% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | DTT | [U-99% 2H] | 10 mM | |
5 | sodium azide | natural abundance | 0.01 % | |
6 | Zinc Sulfate | natural abundance | 10 uM | |
7 | Roche inhibitor cocktail | natural abundance | 1 na | |
8 | H20 | natural abundance | 90 % | |
9 | D20 | natural abundance | 10 % |
Bruker Avance - 600 MHz with cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CV0237 | [U-99% 13C; U-99% 15N] | 0.4 ~ 0.7 mM | |
2 | TRIS | [U-99% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | DTT | [U-99% 2H] | 10 mM | |
5 | sodium azide | natural abundance | 0.01 % | |
6 | Zinc Sulfate | natural abundance | 10 uM | |
7 | Roche inhibitor cocktail | natural abundance | 1 na | |
8 | H20 | natural abundance | 90 % | |
9 | D20 | natural abundance | 10 % |
Bruker Avance - 600 MHz with cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CV0237 | [U-99% 13C; U-99% 15N] | 0.4 ~ 0.7 mM | |
2 | TRIS | [U-99% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | DTT | [U-99% 2H] | 10 mM | |
5 | sodium azide | natural abundance | 0.01 % | |
6 | Zinc Sulfate | natural abundance | 10 uM | |
7 | Roche inhibitor cocktail | natural abundance | 1 na | |
8 | H20 | natural abundance | 90 % | |
9 | D20 | natural abundance | 10 % |
Bruker Avance - 600 MHz with cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CV0237 | [U-99% 13C; U-99% 15N] | 0.4 ~ 0.7 mM | |
2 | TRIS | [U-99% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | DTT | [U-99% 2H] | 10 mM | |
5 | sodium azide | natural abundance | 0.01 % | |
6 | Zinc Sulfate | natural abundance | 10 uM | |
7 | Roche inhibitor cocktail | natural abundance | 1 na | |
8 | H20 | natural abundance | 90 % | |
9 | D20 | natural abundance | 10 % |
Bruker Avance - 800 MHz with cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CV0237 | [U-99% 13C; U-99% 15N] | 0.4 ~ 0.7 mM | |
2 | TRIS | [U-99% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | DTT | [U-99% 2H] | 10 mM | |
5 | sodium azide | natural abundance | 0.01 % | |
6 | Zinc Sulfate | natural abundance | 10 uM | |
7 | Roche inhibitor cocktail | natural abundance | 1 na | |
8 | H20 | natural abundance | 90 % | |
9 | D20 | natural abundance | 10 % |
Bruker Avance - 800 MHz with cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CV0237 | [U-99% 13C; U-99% 15N] | 0.4 ~ 0.7 mM | |
2 | TRIS | [U-99% 2H] | 10 mM | |
3 | sodium chloride | natural abundance | 300 mM | |
4 | DTT | [U-99% 2H] | 10 mM | |
5 | sodium azide | natural abundance | 0.01 % | |
6 | Zinc Sulfate | natural abundance | 10 uM | |
7 | Roche inhibitor cocktail | natural abundance | 1 na | |
8 | H20 | natural abundance | 90 % | |
9 | D20 | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_16545_2kp6.nef |
Input source #2: Coordindates | 2kp6.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--------- QGHMDTSNHLLPGLFRQLGLEDEPAAIRAFIDSHPLPPRVPLPEAPFWTPAQAAFLRQALECDAEWSEAADGLAVLLQQGEA |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| QGHMDTSNHLLPGLFRQLGLEDEPAAIRAFIDSHPLPPRVPLPEAPFWTPAQAAFLRQALECDAEWSEAADGLAVLLQQGEA --------10--------20--------30--------40--------50--------60--------70--------80--
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 82 | 0 | 0 | 100.0 |
Content subtype: combined_16545_2kp6.nef
Assigned chemical shifts
-----------10--------20--------30--------40--------50--------60--------70--------- QGHMDTSNHLLPGLFRQLGLEDEPAAIRAFIDSHPLPPRVPLPEAPFWTPAQAAFLRQALECDAEWSEAADGLAVLLQQGEA | || |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ...M.TS.HLLPGLFRQLGLEDEPAAIRAFIDSHPLPPRVPLPEAPFWTPAQAAFLRQALECDAEWSEAADGLAVLLQQGEA
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 482 | 405 | 84.0 |
13C chemical shifts | 366 | 306 | 83.6 |
15N chemical shifts | 86 | 64 | 74.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 160 | 143 | 89.4 |
13C chemical shifts | 164 | 139 | 84.8 |
15N chemical shifts | 73 | 62 | 84.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 322 | 262 | 81.4 |
13C chemical shifts | 202 | 167 | 82.7 |
15N chemical shifts | 13 | 2 | 15.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 48 | 47 | 97.9 |
13C chemical shifts | 48 | 47 | 97.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 38 | 10 | 26.3 |
13C chemical shifts | 36 | 8 | 22.2 |
15N chemical shifts | 2 | 2 | 100.0 |
Distance restraints
-----------10--------20--------30--------40--------50--------60--------70--------- QGHMDTSNHLLPGLFRQLGLEDEPAAIRAFIDSHPLPPRVPLPEAPFWTPAQAAFLRQALECDAEWSEAADGLAVLLQQGEA | || |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ...M.TS.HLLPGLFRQLGLEDEPAAIRAFIDSHPLPPRVPLPEAPFWTPAQAAFLRQALECDAEWSEAADGLAVLLQQGEA
Dihedral angle restraints
-----------10--------20--------30--------40--------50--------60--------70--------- QGHMDTSNHLLPGLFRQLGLEDEPAAIRAFIDSHPLPPRVPLPEAPFWTPAQAAFLRQALECDAEWSEAADGLAVLLQQGEA |||||||||||||| |||||||||||||| ||||||| ||||||||||||||||||||||||||||| .......NHLLPGLFRQLGLE..PAAIRAFIDSHPLP.RVPLPEA....PAQAAFLRQALECDAEWSEAADGLAVLLQ -----------10--------20--------30--------40--------50--------60--------70-----