SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF PH1500
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 87.0 % (880 of 1011) | 87.9 % (465 of 529) | 85.6 % (346 of 404) | 88.5 % (69 of 78) |
Backbone | 84.9 % (411 of 484) | 86.0 % (141 of 164) | 83.2 % (203 of 244) | 88.2 % (67 of 76) |
Sidechain | 88.6 % (536 of 605) | 88.8 % (324 of 365) | 88.2 % (210 of 238) | 100.0 % (2 of 2) |
Aromatic | 50.0 % (28 of 56) | 50.0 % (14 of 28) | 50.0 % (14 of 28) | |
Methyl | 96.6 % (112 of 116) | 96.6 % (56 of 58) | 96.6 % (56 of 58) |
1. HYPOTHETICAL PROTEIN PH1500
HHHHHHMEGV IMSELKLKPL PKVELPPDFV DVIRIKLQGK TVRTGDVIGI SILGKEVKFK VVQAYPSPLR VEDRTKITLV THPSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HYPOTHETICAL PROTEIN PH1500 | natural abundance | 1 mM | |
2 | PHOSPHATE BUFFER | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | HYPOTHETICAL PROTEIN PH1500 | [U-100% 15N] | 1 mM | |
7 | PHOSPHATE BUFFER | natural abundance | 50 mM | |
8 | sodium chloride | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | HYPOTHETICAL PROTEIN PH1500 | [U-100% 13C; U-100% 15N] | 1 mM | |
12 | PHOSPHATE BUFFER | natural abundance | 50 mM | |
13 | sodium chloride | natural abundance | 50 mM | |
14 | H2O | natural abundance | 90 % | |
15 | D2O | 10 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Bruker DMX - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HYPOTHETICAL PROTEIN PH1500 | natural abundance | 1 mM | |
2 | PHOSPHATE BUFFER | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | 10 % |
Bruker DMX - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | HYPOTHETICAL PROTEIN PH1500 | [U-100% 15N] | 1 mM | |
7 | PHOSPHATE BUFFER | natural abundance | 50 mM | |
8 | sodium chloride | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | HYPOTHETICAL PROTEIN PH1500 | [U-100% 15N] | 1 mM | |
7 | PHOSPHATE BUFFER | natural abundance | 50 mM | |
8 | sodium chloride | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | HYPOTHETICAL PROTEIN PH1500 | [U-100% 15N] | 1 mM | |
7 | PHOSPHATE BUFFER | natural abundance | 50 mM | |
8 | sodium chloride | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | 10 % |
Bruker DMX - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | HYPOTHETICAL PROTEIN PH1500 | [U-100% 13C; U-100% 15N] | 1 mM | |
12 | PHOSPHATE BUFFER | natural abundance | 50 mM | |
13 | sodium chloride | natural abundance | 50 mM | |
14 | H2O | natural abundance | 90 % | |
15 | D2O | 10 % |
Bruker DMX - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | HYPOTHETICAL PROTEIN PH1500 | [U-100% 13C; U-100% 15N] | 1 mM | |
12 | PHOSPHATE BUFFER | natural abundance | 50 mM | |
13 | sodium chloride | natural abundance | 50 mM | |
14 | H2O | natural abundance | 90 % | |
15 | D2O | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | HYPOTHETICAL PROTEIN PH1500 | [U-100% 13C; U-100% 15N] | 1 mM | |
12 | PHOSPHATE BUFFER | natural abundance | 50 mM | |
13 | sodium chloride | natural abundance | 50 mM | |
14 | H2O | natural abundance | 90 % | |
15 | D2O | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | HYPOTHETICAL PROTEIN PH1500 | [U-100% 13C; U-100% 15N] | 1 mM | |
12 | PHOSPHATE BUFFER | natural abundance | 50 mM | |
13 | sodium chloride | natural abundance | 50 mM | |
14 | H2O | natural abundance | 90 % | |
15 | D2O | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | HYPOTHETICAL PROTEIN PH1500 | [U-100% 13C; U-100% 15N] | 1 mM | |
12 | PHOSPHATE BUFFER | natural abundance | 50 mM | |
13 | sodium chloride | natural abundance | 50 mM | |
14 | H2O | natural abundance | 90 % | |
15 | D2O | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | HYPOTHETICAL PROTEIN PH1500 | [U-100% 13C; U-100% 15N] | 1 mM | |
12 | PHOSPHATE BUFFER | natural abundance | 50 mM | |
13 | sodium chloride | natural abundance | 50 mM | |
14 | H2O | natural abundance | 90 % | |
15 | D2O | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_15465_2jv2.nef |
Input source #2: Coordindates | 2jv2.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--- HHHHHHMEGVIMSELKLKPLPKVELPPDFVDVIRIKLQGKTVRTGDVIGISILGKEVKFKVVQAYPSPLRVEDRTKITLVTHP ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| HHHHHHMEGVIMSELKLKPLPKVELPPDFVDVIRIKLQGKTVRTGDVIGISILGKEVKFKVVQAYPSPLRVEDRTKITLVTHP
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 83 | 0 | 0 | 100.0 |
Content subtype: combined_15465_2jv2.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--- HHHHHHMEGVIMSELKLKPLPKVELPPDFVDVIRIKLQGKTVRTGDVIGISILGKEVKFKVVQAYPSPLRVEDRTKITLVTHP ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| | ........GVIMSELKLKPLPKVELPPDFVDVIRIKLQGKTVRTGDVIGISILGKEVKFKVVQAYPSPLRVEDRTKITLVT.P
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 529 | 471 | 89.0 |
13C chemical shifts | 404 | 345 | 85.4 |
15N chemical shifts | 82 | 70 | 85.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 164 | 146 | 89.0 |
13C chemical shifts | 166 | 133 | 80.1 |
15N chemical shifts | 76 | 67 | 88.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 365 | 325 | 89.0 |
13C chemical shifts | 238 | 212 | 89.1 |
15N chemical shifts | 6 | 3 | 50.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 60 | 59 | 98.3 |
13C chemical shifts | 60 | 59 | 98.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 28 | 14 | 50.0 |
13C chemical shifts | 28 | 14 | 50.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--- HHHHHHMEGVIMSELKLKPLPKVELPPDFVDVIRIKLQGKTVRTGDVIGISILGKEVKFKVVQAYPSPLRVEDRTKITLVTHP ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ........GVIMSELKLKPLPKVELPPDFVDVIRIKLQGKTVRTGDVIGISILGKEVKFKVVQAYPSPLRVEDRTKITLVT --------10--------20--------30--------40--------50--------60--------70--------80-
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--- HHHHHHMEGVIMSELKLKPLPKVELPPDFVDVIRIKLQGKTVRTGDVIGISILGKEVKFKVVQAYPSPLRVEDRTKITLVTHP ||||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .......EGVIMSELKLKPL.KVELPPDFVDVIRIKLQGKTVRTGDVIGISILGKEVKFKVVQAYPSPLRVEDRTKITLVTHP