OspE
KIHTSYDEQS SGESKVKKIE FSKFTVKIKN KDKSGNWTDL GDLVVRKEEN GIDTGLNAGG HSATFFSLEE EVVNNFVKVM TEGGSFKTSL YYGYKEEQSV INGIQNKEII TKIEKIDGTE YITFSGDKIK NSGDKVAEYA ISLEELKKNL K
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 93.6 % (1675 of 1789) | 92.3 % (862 of 934) | 94.3 % (651 of 690) | 98.2 % (162 of 165) |
Backbone | 98.6 % (893 of 906) | 97.2 % (307 of 316) | 99.3 % (436 of 439) | 99.3 % (150 of 151) |
Sidechain | 90.0 % (918 of 1020) | 89.8 % (555 of 618) | 90.5 % (351 of 388) | 85.7 % (12 of 14) |
Aromatic | 68.1 % (94 of 138) | 84.1 % (58 of 69) | 51.5 % (35 of 68) | 100.0 % (1 of 1) |
Methyl | 99.3 % (151 of 152) | 98.7 % (75 of 76) | 100.0 % (76 of 76) |
1. OspE
KIHTSYDEQS SGESKVKKIE FSKFTVKIKN KDKSGNWTDL GDLVVRKEEN GIDTGLNAGG HSATFFSLEE EVVNNFVKVM TEGGSFKTSL YYGYKEEQSV INGIQNKEII TKIEKIDGTE YITFSGDKIK NSGDKVAEYA ISLEELKKNL KSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | OspE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl carbon | 0.0 ppm | na | direct | 1.0 |
1H | water | protons | 4.75 ppm | internal | direct | 1.0 |
15N | liquid anhydrous ammonia | nitrogen | 117.8 ppm | na | direct | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl carbon | 0.0 ppm | na | direct | 1.0 |
1H | water | protons | 4.75 ppm | internal | direct | 1.0 |
15N | liquid anhydrous ammonia | nitrogen | 117.8 ppm | na | direct | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl carbon | 0.0 ppm | na | direct | 1.0 |
1H | water | protons | 4.75 ppm | internal | direct | 1.0 |
15N | liquid anhydrous ammonia | nitrogen | 117.8 ppm | na | direct | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl carbon | 0.0 ppm | na | direct | 1.0 |
1H | water | protons | 4.75 ppm | internal | direct | 1.0 |
15N | liquid anhydrous ammonia | nitrogen | 117.8 ppm | na | direct | 1.0 |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | OspE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | OspE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | OspE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | OspE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | OspE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | OspE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | OspE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | OspE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | OspE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | OspE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | OspE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | OspE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | OspE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | OspE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | OspE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | OspE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | OspE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | OspE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | OspE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_19001_2m4f.nef |
Input source #2: Coordindates | 2m4f.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
--------30--------40--------50--------60--------70--------80--------90-------100-------110-------120 KIHTSYDEQSSGESKVKKIEFSKFTVKIKNKDKSGNWTDLGDLVVRKEENGIDTGLNAGGHSATFFSLEEEVVNNFVKVMTEGGSFKTSLYYGYKEEQSV |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| KIHTSYDEQSSGESKVKKIEFSKFTVKIKNKDKSGNWTDLGDLVVRKEENGIDTGLNAGGHSATFFSLEEEVVNNFVKVMTEGGSFKTSLYYGYKEEQSV --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------130-------140-------150-------160-------170- INGIQNKEIITKIEKIDGTEYITFSGDKIKNSGDKVAEYAISLEELKKNLK ||||||||||||||||||||||||||||||||||||||||||||||||||| INGIQNKEIITKIEKIDGTEYITFSGDKIKNSGDKVAEYAISLEELKKNLK -------110-------120-------130-------140-------150-
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 151 | 0 | 0 | 100.0 |
Content subtype: combined_19001_2m4f.nef
Assigned chemical shifts
--------30--------40--------50--------60--------70--------80--------90-------100-------110-------120 KIHTSYDEQSSGESKVKKIEFSKFTVKIKNKDKSGNWTDLGDLVVRKEENGIDTGLNAGGHSATFFSLEEEVVNNFVKVMTEGGSFKTSLYYGYKEEQSV |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| KIHTSYDEQSSGESKVKKIEFSKFTVKIKNKDKSGNWTDLGDLVVRKEENGIDTGLNAGGHSATFFSLEEEVVNNFVKVMTEGGSFKTSLYYGYKEEQSV -------130-------140-------150-------160-------170- INGIQNKEIITKIEKIDGTEYITFSGDKIKNSGDKVAEYAISLEELKKNLK ||||||||||||||||||||||||||||||||||||||||||||||||||| INGIQNKEIITKIEKIDGTEYITFSGDKIKNSGDKVAEYAISLEELKKNLK
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 934 | 868 | 92.9 |
13C chemical shifts | 690 | 653 | 94.6 |
15N chemical shifts | 166 | 163 | 98.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 316 | 314 | 99.4 |
13C chemical shifts | 302 | 302 | 100.0 |
15N chemical shifts | 151 | 150 | 99.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 618 | 554 | 89.6 |
13C chemical shifts | 388 | 351 | 90.5 |
15N chemical shifts | 15 | 13 | 86.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 77 | 76 | 98.7 |
13C chemical shifts | 77 | 77 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 69 | 58 | 84.1 |
13C chemical shifts | 68 | 35 | 51.5 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
--------30--------40--------50--------60--------70--------80--------90-------100-------110-------120 KIHTSYDEQSSGESKVKKIEFSKFTVKIKNKDKSGNWTDLGDLVVRKEENGIDTGLNAGGHSATFFSLEEEVVNNFVKVMTEGGSFKTSLYYGYKEEQSV || | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| KI..........E.KVKKIEFSKFTVKIKNKDKSGNWTDLGDLVVRKEENGIDTGLNAGGHSATFFSLEEEVVNNFVKVMTEGGSFKTSLYYGYKEEQSV -------130-------140-------150-------160-------170- INGIQNKEIITKIEKIDGTEYITFSGDKIKNSGDKVAEYAISLEELKKNLK ||||||||||||||||||||||||||||||||||||||||||||||||||| INGIQNKEIITKIEKIDGTEYITFSGDKIKNSGDKVAEYAISLEELKKNLK