The solution structure of Phage P2 gpX
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 81.1 % (625 of 771) | 88.1 % (342 of 388) | 69.1 % (215 of 311) | 94.4 % (68 of 72) |
Backbone | 80.4 % (336 of 418) | 92.4 % (133 of 144) | 66.2 % (137 of 207) | 98.5 % (66 of 67) |
Sidechain | 83.7 % (350 of 418) | 85.7 % (209 of 244) | 82.2 % (139 of 169) | 40.0 % (2 of 5) |
Aromatic | 44.0 % (22 of 50) | 64.0 % (16 of 25) | 20.8 % (5 of 24) | 100.0 % (1 of 1) |
Methyl | 94.4 % (102 of 108) | 92.6 % (50 of 54) | 96.3 % (52 of 54) |
1. P2 gpX
MKTFALQGDT LDAICVRYYG RTEGVVETVL AANPGLAELG AVLPHGTAVE LPDVQTAPVA ETVNLWEVEH HSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | P2_gpX | [U-100% 13C; U-100% 15N] | 1.1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 200 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | P2 gpX | [U-100% 13C; U-100% 15N] | 1.1 mM | |
8 | sodium phosphate | natural abundance | 25 mM | |
9 | sodium chloride | natural abundance | 200 mM | |
10 | DTT | natural abundance | 2 mM | |
11 | 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 | 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 |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | P2_gpX | [U-100% 13C; U-100% 15N] | 1.1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 200 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | P2_gpX | [U-100% 13C; U-100% 15N] | 1.1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 200 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | P2_gpX | [U-100% 13C; U-100% 15N] | 1.1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 200 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | P2_gpX | [U-100% 13C; U-100% 15N] | 1.1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 200 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | P2_gpX | [U-100% 13C; U-100% 15N] | 1.1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 200 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | P2_gpX | [U-100% 13C; U-100% 15N] | 1.1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 200 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | P2_gpX | [U-100% 13C; U-100% 15N] | 1.1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 200 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | P2_gpX | [U-100% 13C; U-100% 15N] | 1.1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 200 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | P2 gpX | [U-100% 13C; U-100% 15N] | 1.1 mM | |
8 | sodium phosphate | natural abundance | 25 mM | |
9 | sodium chloride | natural abundance | 200 mM | |
10 | DTT | natural abundance | 2 mM | |
11 | D2O | natural abundance | 100 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | P2 gpX | [U-100% 13C; U-100% 15N] | 1.1 mM | |
8 | sodium phosphate | natural abundance | 25 mM | |
9 | sodium chloride | natural abundance | 200 mM | |
10 | DTT | natural abundance | 2 mM | |
11 | D2O | natural abundance | 100 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | P2 gpX | [U-100% 13C; U-100% 15N] | 1.1 mM | |
8 | sodium phosphate | natural abundance | 25 mM | |
9 | sodium chloride | natural abundance | 200 mM | |
10 | DTT | natural abundance | 2 mM | |
11 | D2O | natural abundance | 100 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | P2 gpX | [U-100% 13C; U-100% 15N] | 1.1 mM | |
8 | sodium phosphate | natural abundance | 25 mM | |
9 | sodium chloride | natural abundance | 200 mM | |
10 | DTT | natural abundance | 2 mM | |
11 | D2O | natural abundance | 100 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | P2_gpX | [U-100% 13C; U-100% 15N] | 1.1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 200 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | P2_gpX | [U-100% 13C; U-100% 15N] | 1.1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 200 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_18475_2ltf.nef |
Input source #2: Coordindates | 2ltf.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- MKTFALQGDTLDAICVRYYGRTEGVVETVLAANPGLAELGAVLPHGTAVELPDVQTAPVAETVNLWEVEHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MKTFALQGDTLDAICVRYYGRTEGVVETVLAANPGLAELGAVLPHGTAVELPDVQTAPVAETVNLWEVEHH
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 71 | 0 | 0 | 100.0 |
Content subtype: combined_18475_2ltf.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70- MKTFALQGDTLDAICVRYYGRTEGVVETVLAANPGLAELGAVLPHGTAVELPDVQTAPVAETVNLWEVEHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MKTFALQGDTLDAICVRYYGRTEGVVETVLAANPGLAELGAVLPHGTAVELPDVQTAPVAETVNLWEVEHH
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 388 | 358 | 92.3 |
13C chemical shifts | 311 | 208 | 66.9 |
15N chemical shifts | 74 | 68 | 91.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 144 | 140 | 97.2 |
13C chemical shifts | 142 | 69 | 48.6 |
15N chemical shifts | 67 | 66 | 98.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 244 | 218 | 89.3 |
13C chemical shifts | 169 | 139 | 82.2 |
15N chemical shifts | 7 | 2 | 28.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 55 | 52 | 94.5 |
13C chemical shifts | 55 | 49 | 89.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 25 | 16 | 64.0 |
13C chemical shifts | 24 | 5 | 20.8 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70- MKTFALQGDTLDAICVRYYGRTEGVVETVLAANPGLAELGAVLPHGTAVELPDVQTAPVAETVNLWEVEHH |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MKTFALQGDTLDAICVRYYGRTEGVVETVLAANPGLAELGAVLPHGTAVELPDVQTAPVAETVNLWEVEH --------10--------20--------30--------40--------50--------60--------70