NMR STRUCTURE OF PROTEIN VPA0419 FROM VIBRIO PARAHAEMOLYTICUS: NORTHEAST STRUCTURAL GENOMICS TARGET VPR68.
AGEIGFIIKE GDEVADVTIF AETKDALESE LAKYIELAKS VCAGVEYNVS ELTEESKELT ARFKFEVSAE KLIFELKTRS LARLEHHHHH H
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 91.6 % (968 of 1057) | 92.8 % (504 of 543) | 89.6 % (378 of 422) | 93.5 % (86 of 92) |
Backbone | 93.0 % (508 of 546) | 93.0 % (173 of 186) | 92.9 % (250 of 269) | 93.4 % (85 of 91) |
Sidechain | 90.5 % (541 of 598) | 92.7 % (331 of 357) | 87.1 % (209 of 240) | 100.0 % (1 of 1) |
Aromatic | 61.1 % (55 of 90) | 77.8 % (35 of 45) | 44.4 % (20 of 45) | |
Methyl | 98.2 % (112 of 114) | 96.5 % (55 of 57) | 100.0 % (57 of 57) |
1. VPA0419
AGEIGFIIKE GDEVADVTIF AETKDALESE LAKYIELAKS VCAGVEYNVS ELTEESKELT ARFKFEVSAE KLIFELKTRS LARLEHHHHH HSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1.07 mM | |
2 | NaCl | 100 mM | ||
3 | D2O | [U-100% 2H] | 10 % | |
4 | H2O | 90 % |
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 |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1.07 mM | |
2 | NaCl | 100 mM | ||
3 | D2O | [U-100% 2H] | 10 % | |
4 | H2O | 90 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1.07 mM | |
2 | NaCl | 100 mM | ||
3 | D2O | [U-100% 2H] | 10 % | |
4 | H2O | 90 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1.07 mM | |
2 | NaCl | 100 mM | ||
3 | D2O | [U-100% 2H] | 10 % | |
4 | H2O | 90 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1.07 mM | |
2 | NaCl | 100 mM | ||
3 | D2O | [U-100% 2H] | 10 % | |
4 | H2O | 90 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1.07 mM | |
2 | NaCl | 100 mM | ||
3 | D2O | [U-100% 2H] | 10 % | |
4 | H2O | 90 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1.07 mM | |
2 | NaCl | 100 mM | ||
3 | D2O | [U-100% 2H] | 10 % | |
4 | H2O | 90 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1.07 mM | |
2 | NaCl | 100 mM | ||
3 | D2O | [U-100% 2H] | 10 % | |
4 | H2O | 90 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1.07 mM | |
2 | NaCl | 100 mM | ||
3 | D2O | [U-100% 2H] | 10 % | |
4 | H2O | 90 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_15608_2jz5.nef |
Input source #2: Coordindates | 2jz5.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--------90- AGEIGFIIKEGDEVADVTIFAETKDALESELAKYIELAKSVCAGVEYNVSELTEESKELTARFKFEVSAEKLIFELKTRSLARLEHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| AGEIGFIIKEGDEVADVTIFAETKDALESELAKYIELAKSVCAGVEYNVSELTEESKELTARFKFEVSAEKLIFELKTRSLARLEHHHHHH
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 91 | 0 | 0 | 100.0 |
Content subtype: combined_15608_2jz5.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90- AGEIGFIIKEGDEVADVTIFAETKDALESELAKYIELAKSVCAGVEYNVSELTEESKELTARFKFEVSAEKLIFELKTRSLARLEHHHHHH |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| AGEIGFIIKEGDEVADVTIFAETKDALESELAKYIELAKSVCAGVEYNVSELTEESKELTARFKFEVSAEKLIFELKTRSLARLEH --------10--------20--------30--------40--------50--------60--------70--------80------
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 543 | 509 | 93.7 |
13C chemical shifts | 422 | 381 | 90.3 |
15N chemical shifts | 95 | 86 | 90.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 186 | 175 | 94.1 |
13C chemical shifts | 182 | 171 | 94.0 |
15N chemical shifts | 91 | 85 | 93.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 357 | 334 | 93.6 |
13C chemical shifts | 240 | 210 | 87.5 |
15N chemical shifts | 4 | 1 | 25.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 57 | 57 | 100.0 |
13C chemical shifts | 57 | 57 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 45 | 35 | 77.8 |
13C chemical shifts | 45 | 20 | 44.4 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90- AGEIGFIIKEGDEVADVTIFAETKDALESELAKYIELAKSVCAGVEYNVSELTEESKELTARFKFEVSAEKLIFELKTRSLARLEHHHHHH |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| AGEIGFIIKEGDEVADVTIFAETKDALESELAKYIELAKSVCAGVEYNVSELTEESKELTARFKFEVSAEKLIFELKTRSLARLEH --------10--------20--------30--------40--------50--------60--------70--------80------