Solution structure of protein CV0426 from Chromobacterium violaceum. NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET CVT2.
QGMLLHSVET PRGEILNVSE QEARDVFGAS EQAIADARKA TILQTLRIER DERLRACDWT QVQDVVLTAD QKATWAKYRQ ALRDLPETVT DLSQIVWPQL PV
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 84.8 % (1006 of 1186) | 85.4 % (526 of 616) | 83.8 % (384 of 458) | 85.7 % (96 of 112) |
Backbone | 86.6 % (523 of 604) | 88.2 % (179 of 203) | 85.8 % (260 of 303) | 85.7 % (84 of 98) |
Sidechain | 84.0 % (572 of 681) | 84.0 % (347 of 413) | 83.9 % (213 of 254) | 85.7 % (12 of 14) |
Aromatic | 75.9 % (44 of 58) | 82.8 % (24 of 29) | 65.4 % (17 of 26) | 100.0 % (3 of 3) |
Methyl | 85.5 % (118 of 138) | 85.5 % (59 of 69) | 85.5 % (59 of 69) |
1. cv0426
QGMLLHSVET PRGEILNVSE QEARDVFGAS EQAIADARKA TILQTLRIER DERLRACDWT QVQDVVLTAD QKATWAKYRQ ALRDLPETVT DLSQIVWPQL PVSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | cv0426 | [U-13C; U-15N] | 0.5 mM | |
2 | MOPS | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 450 mM | |
4 | ZnSO4 | natural abundance | 10 uM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 10 mM | |
8 | D2O | natural abundance | 10 % | |
9 | H2O | natural abundance | 90 % |
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 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | cv0426 | [U-13C; U-15N] | 0.5 mM | |
2 | MOPS | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 450 mM | |
4 | ZnSO4 | natural abundance | 10 uM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 10 mM | |
8 | D2O | natural abundance | 10 % | |
9 | H2O | natural abundance | 90 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | cv0426 | [U-13C; U-15N] | 0.5 mM | |
2 | MOPS | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 450 mM | |
4 | ZnSO4 | natural abundance | 10 uM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 10 mM | |
8 | D2O | natural abundance | 10 % | |
9 | H2O | natural abundance | 90 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | cv0426 | [U-13C; U-15N] | 0.5 mM | |
2 | MOPS | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 450 mM | |
4 | ZnSO4 | natural abundance | 10 uM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 10 mM | |
8 | D2O | natural abundance | 10 % | |
9 | H2O | natural abundance | 90 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | cv0426 | [U-13C; U-15N] | 0.5 mM | |
2 | MOPS | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 450 mM | |
4 | ZnSO4 | natural abundance | 10 uM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 10 mM | |
8 | D2O | natural abundance | 10 % | |
9 | H2O | natural abundance | 90 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | cv0426 | [U-13C; U-15N] | 0.5 mM | |
2 | MOPS | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 450 mM | |
4 | ZnSO4 | natural abundance | 10 uM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 10 mM | |
8 | D2O | natural abundance | 10 % | |
9 | H2O | natural abundance | 90 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | cv0426 | [U-13C; U-15N] | 0.5 mM | |
2 | MOPS | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 450 mM | |
4 | ZnSO4 | natural abundance | 10 uM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 10 mM | |
8 | D2O | natural abundance | 10 % | |
9 | H2O | natural abundance | 90 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | cv0426 | [U-13C; U-15N] | 0.5 mM | |
2 | MOPS | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 450 mM | |
4 | ZnSO4 | natural abundance | 10 uM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 10 mM | |
8 | D2O | natural abundance | 10 % | |
9 | H2O | natural abundance | 90 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | cv0426 | [U-13C; U-15N] | 0.5 mM | |
2 | MOPS | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 450 mM | |
4 | ZnSO4 | natural abundance | 10 uM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 10 mM | |
8 | D2O | natural abundance | 10 % | |
9 | H2O | natural abundance | 90 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | cv0426 | [U-13C; U-15N] | 0.5 mM | |
2 | MOPS | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 450 mM | |
4 | ZnSO4 | natural abundance | 10 uM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 10 mM | |
8 | D2O | natural abundance | 10 % | |
9 | H2O | natural abundance | 90 % |
Bruker Avance - 600 MHz
State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | cv0426 | [U-13C; U-15N] | 0.5 mM | |
2 | MOPS | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 450 mM | |
4 | ZnSO4 | natural abundance | 10 uM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 0.01 % | |
7 | benzamidine | natural abundance | 10 mM | |
8 | D2O | natural abundance | 10 % | |
9 | H2O | natural abundance | 90 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints | combined_16999_2kz6.nef |
Input source #2: Coordindates | 2kz6.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
-0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------1 QGMLLHSVETPRGEILNVSEQEARDVFGASEQAIADARKATILQTLRIERDERLRACDWTQVQDVVLTADQKATWAKYRQALRDLPETVTDLSQIVWPQL |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| QGMLLHSVETPRGEILNVSEQEARDVFGASEQAIADARKATILQTLRIERDERLRACDWTQVQDVVLTADQKATWAKYRQALRDLPETVTDLSQIVWPQL --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 00 PV || PV --
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 102 | 0 | 0 | 100.0 |
Content subtype: combined_16999_2kz6.nef
Assigned chemical shifts
-0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------1 QGMLLHSVETPRGEILNVSEQEARDVFGASEQAIADARKATILQTLRIERDERLRACDWTQVQDVVLTADQKATWAKYRQALRDLPETVTDLSQIVWPQL |||||||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||||| |||||| ..MLLHSVETPRGEILNVSEQEARDVFGASEQAIADARKATILQTL.IERDERLRACDWTQVQDVVLTADQKATWAKYRQALRDLPE.......IVWPQL 00 PV || PV
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 616 | 522 | 84.7 |
13C chemical shifts | 458 | 381 | 83.2 |
15N chemical shifts | 121 | 94 | 77.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 203 | 175 | 86.2 |
13C chemical shifts | 204 | 168 | 82.4 |
15N chemical shifts | 98 | 82 | 83.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 413 | 347 | 84.0 |
13C chemical shifts | 254 | 213 | 83.9 |
15N chemical shifts | 23 | 12 | 52.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 70 | 60 | 85.7 |
13C chemical shifts | 70 | 60 | 85.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 29 | 24 | 82.8 |
13C chemical shifts | 26 | 17 | 65.4 |
15N chemical shifts | 3 | 3 | 100.0 |
Distance restraints
-0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------1 QGMLLHSVETPRGEILNVSEQEARDVFGASEQAIADARKATILQTLRIERDERLRACDWTQVQDVVLTADQKATWAKYRQALRDLPETVTDLSQIVWPQL |||||||||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||||||||| |||||| ..MLLHSVETPRGEILNVSEQEARDVFGASEQAIADARKATILQTL.IERDERLRACDWTQVQDVVLTADQKATWAKYRQALRDLP........IVWPQL 00 PV || PV
Dihedral angle restraints
-0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------1 QGMLLHSVETPRGEILNVSEQEARDVFGASEQAIADARKATILQTLRIERDERLRACDWTQVQDVVLTADQKATWAKYRQALRDLPETVTDLSQIVWPQL ||||| ||||||||||||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||| ||||||| ......SVETP.GEILNVSEQEARDVFGASEQAIADARKATILQTLRIERDERLRACDWTQ...VVLTADQKATWAKYRQALRDLP.......QIVWPQL -0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------- 00 PV | P -
RDC restraints