NMR structure of the N-terminal domain of the Bacteriophage T5 decoration protein pb10
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 83.0 % (857 of 1033) | 83.4 % (447 of 536) | 81.8 % (341 of 417) | 86.3 % (69 of 80) |
Backbone | 84.6 % (423 of 500) | 85.2 % (144 of 169) | 83.8 % (212 of 253) | 85.9 % (67 of 78) |
Sidechain | 82.1 % (504 of 614) | 82.6 % (303 of 367) | 81.2 % (199 of 245) | 100.0 % (2 of 2) |
Aromatic | 73.8 % (96 of 130) | 75.4 % (49 of 65) | 71.9 % (46 of 64) | 100.0 % (1 of 1) |
Methyl | 90.0 % (81 of 90) | 86.7 % (39 of 45) | 93.3 % (42 of 45) |
1. Decoration protein
MGIDYSGLRT IFGEKLPESH IFFATVAAHK YVPSYAFLRR ELGLSSAHTN RKVWKKFVEA YGKAIPPAPP APPLTLSKLE HHHHHHSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.2, Details 1 mM [U-99% 13C; U-99% 15N] n77, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | n77 | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl carbons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | nitrogen | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl carbons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | nitrogen | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl carbons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | nitrogen | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl carbons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | nitrogen | 0.0 ppm | internal | indirect | 0.1013291 |
Bruker DRX600 - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.2, Details 1 mM [U-99% 13C; U-99% 15N] n77, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | n77 | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Bruker DRX700 - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.2, Details 1 mM [U-99% 13C; U-99% 15N] n77, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | n77 | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Bruker DRX700 - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.2, Details 1 mM [U-99% 13C; U-99% 15N] n77, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | n77 | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Bruker DRX700 - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.2, Details 1 mM [U-99% 13C; U-99% 15N] n77, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | n77 | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Bruker DRX700 - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.2, Details 1 mM [U-99% 13C; U-99% 15N] n77, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | n77 | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Bruker DRX700 - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.2, Details 1 mM [U-99% 13C; U-99% 15N] n77, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | n77 | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Bruker DRX700 - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.2, Details 1 mM [U-99% 13C; U-99% 15N] n77, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | n77 | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Bruker DRX700 - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.2, Details 1 mM [U-99% 13C; U-99% 15N] n77, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | n77 | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Bruker DRX700 - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.2, Details 1 mM [U-99% 13C; U-99% 15N] n77, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | n77 | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Bruker DRX700 - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.2, Details 1 mM [U-99% 13C; U-99% 15N] n77, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | n77 | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_34047_5lxl.nef |
Input source #2: Coordindates | 5lxl.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----- MGIDYSGLRTIFGEKLPESHIFFATVAAHKYVPSYAFLRRELGLSSAHTNRKVWKKFVEAYGKAIPPAPPAPPLTLSKLEHHHHHH |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MGIDYSGLRTIFGEKLPESHIFFATVAAHKYVPSYAFLRRELGLSSAHTNRKVWKKFVEAYGKAIPPAPPAPPLTLSKLEHHHHHH --------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 | 86 | 0 | 0 | 100.0 |
Content subtype: combined_34047_5lxl.nef
Assigned chemical shifts
0--------10--------20--------30--------40--------50--------60--------70--------80----- MGIDYSGLRTIFGEKLPESHIFFATVAAHKYVPSYAFLRRELGLSSAHTNRKVWKKFVEAYGKAIPPAPPAPPLTLSKLEHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| | ||||||||| MGIDYSGLRTIFGEKLPESHIFFATVAAHKYVPSYAFLRRELGLSSAHTNRKVWKKFVEAYGKAI.P.....PLTLSKLEH 0--------10--------20--------30--------40--------50--------60--------70--------80
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 536 | 441 | 82.3 |
13C chemical shifts | 417 | 332 | 79.6 |
15N chemical shifts | 84 | 68 | 81.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 169 | 144 | 85.2 |
13C chemical shifts | 172 | 139 | 80.8 |
15N chemical shifts | 78 | 65 | 83.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 367 | 297 | 80.9 |
13C chemical shifts | 245 | 193 | 78.8 |
15N chemical shifts | 6 | 3 | 50.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 46 | 40 | 87.0 |
13C chemical shifts | 46 | 41 | 89.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 65 | 49 | 75.4 |
13C chemical shifts | 64 | 46 | 71.9 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
0--------10--------20--------30--------40--------50--------60--------70--------80----- MGIDYSGLRTIFGEKLPESHIFFATVAAHKYVPSYAFLRRELGLSSAHTNRKVWKKFVEAYGKAIPPAPPAPPLTLSKLEHHHHHH |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ||||||||| MGIDYSGLRTIFGEKLPESHIFFATVAAHKYVPSYAFLRRELGLSSAHTNRKVWKKFVEAYGKAIP......PLTLSKLEH 0--------10--------20--------30--------40--------50--------60--------70--------80
Dihedral angle restraints
0--------10--------20--------30--------40--------50--------60--------70--------80----- MGIDYSGLRTIFGEKLPESHIFFATVAAHKYVPSYAFLRRELGLSSAHTNRKVWKKFVEAYGKAIPPAPPAPPLTLSKLEHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| |||| .GIDYSGLRTIFGEKLPESHIFFATVAAHKYVPSYAFLRRELGLSSAHTNRKVWKKFVEAYGKAIP.....PPLT 0--------10--------20--------30--------40--------50--------60--------70----