1H, 13C, 15N backbone NMR assignment of N-terminal domain of SaHPF
MIRFEIHGDN LTITDAIRNY IEEKIGKLER YFNDVPNAVA HVKVKTYSNS ATKIEVTIPL KNVTLRAEER NDDLYAGIDL INNKLERQVR KYKTRINRKS RDRGDQEVFV
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 74.8 % (999 of 1335) | 64.4 % (452 of 702) | 86.2 % (442 of 513) | 87.5 % (105 of 120) |
Backbone | 96.6 % (634 of 656) | 95.5 % (212 of 222) | 98.2 % (320 of 326) | 94.4 % (102 of 108) |
Sidechain | 59.7 % (469 of 785) | 50.0 % (240 of 480) | 77.1 % (226 of 293) | 25.0 % (3 of 12) |
Aromatic | 14.1 % (11 of 78) | 17.9 % (7 of 39) | 10.3 % (4 of 39) | |
Methyl | 70.9 % (95 of 134) | 61.2 % (41 of 67) | 80.6 % (54 of 67) |
1. SaHPF NTD
MIRFEIHGDN LTITDAIRNY IEEKIGKLER YFNDVPNAVA HVKVKTYSNS ATKIEVTIPL KNVTLRAEER NDDLYAGIDL INNKLERQVR KYKTRINRKS RDRGDQEVFVSolvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 308.000 K, pH 7.600
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SaHPF NTD | [U-100% 13C; U-100% 15N] | 0.62 mM | |
2 | NH4Cl | natural abundance | 200.00 mM |
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 |
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 |
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 |
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 |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 308.000 K, pH 7.600
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SaHPF NTD | [U-100% 13C; U-100% 15N] | 0.62 mM | |
2 | NH4Cl | natural abundance | 200.00 mM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 308.000 K, pH 7.600
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SaHPF NTD | [U-100% 13C; U-100% 15N] | 0.62 mM | |
2 | NH4Cl | natural abundance | 200.00 mM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 308.000 K, pH 7.600
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SaHPF NTD | [U-100% 13C; U-100% 15N] | 0.62 mM | |
2 | NH4Cl | natural abundance | 200.00 mM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 308.000 K, pH 7.600
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SaHPF NTD | [U-100% 13C; U-100% 15N] | 0.62 mM | |
2 | NH4Cl | natural abundance | 200.00 mM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 308.000 K, pH 7.600
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SaHPF NTD | [U-100% 13C; U-100% 15N] | 0.62 mM | |
2 | NH4Cl | natural abundance | 200.00 mM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 308.000 K, pH 7.600
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SaHPF NTD | [U-100% 13C; U-100% 15N] | 0.62 mM | |
2 | NH4Cl | natural abundance | 200.00 mM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 308.000 K, pH 7.600
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SaHPF NTD | [U-100% 13C; U-100% 15N] | 0.62 mM | |
2 | NH4Cl | natural abundance | 200.00 mM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 308.000 K, pH 7.600
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SaHPF NTD | [U-100% 13C; U-100% 15N] | 0.62 mM | |
2 | NH4Cl | natural abundance | 200.00 mM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 308.000 K, pH 7.600
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SaHPF NTD | [U-100% 13C; U-100% 15N] | 0.62 mM | |
2 | NH4Cl | natural abundance | 200.00 mM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 308.000 K, pH 7.600
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SaHPF NTD | [U-100% 13C; U-100% 15N] | 0.62 mM | |
2 | NH4Cl | natural abundance | 200.00 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_27085_6qbz.nef |
Input source #2: Coordindates | 6qbz.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-------100 MIRFEIHGDNLTITDAIRNYIEEKIGKLERYFNDVPNAVAHVKVKTYSNSATKIEVTIPLKNVTLRAEERNDDLYAGIDLINNKLERQVRKYKTRINRKS |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MIRFEIHGDNLTITDAIRNYIEEKIGKLERYFNDVPNAVAHVKVKTYSNSATKIEVTIPLKNVTLRAEERNDDLYAGIDLINNKLERQVRKYKTRINRKS -------110 RDRGDQEVFV |||||||||| RDRGDQEVFV
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 110 | 0 | 0 | 100.0 |
Content subtype: combined_27085_6qbz.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MIRFEIHGDNLTITDAIRNYIEEKIGKLERYFNDVPNAVAHVKVKTYSNSATKIEVTIPLKNVTLRAEERNDDLYAGIDLINNKLERQVRKYKTRINRKS |||||||||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||| MIRFEIHGDNLTITDAIRNYIEEKIGKLERYFNDVPNAVAHVKVKT..NSATKIEVTIPLKNVTLRAEERNDDLYAGIDLINNKLERQVRKYKTRINRKS -------110 RDRGDQEVFV |||||||||| RDRGDQEVFV
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 702 | 427 | 60.8 |
13C chemical shifts | 513 | 435 | 84.8 |
15N chemical shifts | 131 | 102 | 77.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 222 | 213 | 95.9 |
13C chemical shifts | 220 | 216 | 98.2 |
15N chemical shifts | 108 | 102 | 94.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 480 | 214 | 44.6 |
13C chemical shifts | 293 | 219 | 74.7 |
15N chemical shifts | 23 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 68 | 37 | 54.4 |
13C chemical shifts | 68 | 52 | 76.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 39 | 4 | 10.3 |
13C chemical shifts | 39 | 0 | 0.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MIRFEIHGDNLTITDAIRNYIEEKIGKLERYFNDVPNAVAHVKVKTYSNSATKIEVTIPLKNVTLRAEERNDDLYAGIDLINNKLERQVRKYKTRINRKS |||||||||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||| MIRFEIHGDNLTITDAIRNYIEEKIGKLERYFNDVPNAVAHVKVKT..NSATKIEVTIPLKNVTLRAEERNDDLYAGIDLINNKLERQVRKYKTRINRKS -------110 RDRGDQEVFV |||||||||| RDRGDQEVFV