1H, 13C, and 15N resonance assignments for S. aureus primase C-terminal domain
FDNLSRQEKA ERAFLKHLMR DKDTFLNYYE SVDKDNFTNQ HFKYVFEVLH DFYAENDQYN ISDAVQYVNS NELRETLISL EQYNLNDEPY ENEIDDYVNV INEKGQETIE SLNHKLREAT RIGDVELQKY YLQQIVAKNK ERM
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 80.1 % (1413 of 1763) | 77.5 % (716 of 924) | 83.1 % (559 of 673) | 83.1 % (138 of 166) |
Backbone | 92.9 % (795 of 856) | 91.3 % (262 of 287) | 93.2 % (398 of 427) | 95.1 % (135 of 142) |
Sidechain | 71.8 % (752 of 1048) | 71.3 % (454 of 637) | 76.2 % (295 of 387) | 12.5 % (3 of 24) |
Aromatic | 31.6 % (55 of 174) | 33.3 % (29 of 87) | 29.9 % (26 of 87) | |
Methyl | 90.6 % (125 of 138) | 88.4 % (61 of 69) | 92.8 % (64 of 69) |
1. primase CTD
FDNLSRQEKA ERAFLKHLMR DKDTFLNYYE SVDKDNFTNQ HFKYVFEVLH DFYAENDQYN ISDAVQYVNS NELRETLISL EQYNLNDEPY ENEIDDYVNV INEKGQETIE SLNHKLREAT RIGDVELQKY YLQQIVAKNK ERMSolvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | primase CTD | [U-100% 13C; U-100% 15N] | 1.4 mM |
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 DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | primase CTD | [U-100% 13C; U-100% 15N] | 1.4 mM |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | primase CTD | [U-100% 13C; U-100% 15N] | 1.4 mM |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | primase CTD | [U-100% 13C; U-100% 15N] | 1.4 mM |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | primase CTD | [U-100% 13C; U-100% 15N] | 1.4 mM |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | primase CTD | [U-100% 13C; U-100% 15N] | 1.4 mM |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | primase CTD | [U-100% 13C; U-100% 15N] | 1.4 mM |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | primase CTD | [U-100% 13C; U-100% 15N] | 1.4 mM |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | primase CTD | [U-100% 13C; U-100% 15N] | 1.4 mM |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | primase CTD | [U-100% 13C; U-100% 15N] | 1.4 mM |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | primase CTD | [U-100% 13C; U-100% 15N] | 1.4 mM |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | primase CTD | [U-100% 13C; U-100% 15N] | 1.4 mM |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | primase CTD | [U-100% 13C; U-100% 15N] | 1.4 mM |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | primase CTD | [U-100% 13C; U-100% 15N] | 1.4 mM |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | primase CTD | [U-100% 13C; U-100% 15N] | 1.4 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_17512_2lzn.nef |
Input source #2: Coordindates | 2lzn.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
-----470-------480-------490-------500-------510-------520-------530-------540-------550-------560-- FDNLSRQEKAERAFLKHLMRDKDTFLNYYESVDKDNFTNQHFKYVFEVLHDFYAENDQYNISDAVQYVNSNELRETLISLEQYNLNDEPYENEIDDYVNV |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| FDNLSRQEKAERAFLKHLMRDKDTFLNYYESVDKDNFTNQHFKYVFEVLHDFYAENDQYNISDAVQYVNSNELRETLISLEQYNLNDEPYENEIDDYVNV --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -----570-------580-------590-------600----- INEKGQETIESLNHKLREATRIGDVELQKYYLQQIVAKNKERM ||||||||||||||||||||||||||||||||||||||||||| INEKGQETIESLNHKLREATRIGDVELQKYYLQQIVAKNKERM -------110-------120-------130-------140---
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 143 | 0 | 0 | 100.0 |
Content subtype: combined_17512_2lzn.nef
Assigned chemical shifts
-----470-------480-------490-------500-------510-------520-------530-------540-------550-------560-- FDNLSRQEKAERAFLKHLMRDKDTFLNYYESVDKDNFTNQHFKYVFEVLHDFYAENDQYNISDAVQYVNSNELRETLISLEQYNLNDEPYENEIDDYVNV |||||||||||||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||| |||||||||||||| ||||||||||| FDNLSRQEKAERAFLK..MRDKDTFLNYYESVDKDNFTNQHFKYVFEVLHDFYAENDQYNISDAVQYVNSNEL.ETLISLEQYNLNDE.YENEIDDYVNV -----570-------580-------590-------600----- INEKGQETIESLNHKLREATRIGDVELQKYYLQQIVAKNKERM ||||||||||||||||||||||||||||||||||||||||||| INEKGQETIESLNHKLREATRIGDVELQKYYLQQIVAKNKERM
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 924 | 724 | 78.4 |
13C chemical shifts | 673 | 565 | 84.0 |
15N chemical shifts | 173 | 135 | 78.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 287 | 271 | 94.4 |
13C chemical shifts | 286 | 270 | 94.4 |
15N chemical shifts | 142 | 135 | 95.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 637 | 453 | 71.1 |
13C chemical shifts | 387 | 295 | 76.2 |
15N chemical shifts | 31 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 71 | 62 | 87.3 |
13C chemical shifts | 71 | 64 | 90.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 87 | 30 | 34.5 |
13C chemical shifts | 87 | 24 | 27.6 |
Distance restraints
-----470-------480-------490-------500-------510-------520-------530-------540-------550-------560-- FDNLSRQEKAERAFLKHLMRDKDTFLNYYESVDKDNFTNQHFKYVFEVLHDFYAENDQYNISDAVQYVNSNELRETLISLEQYNLNDEPYENEIDDYVNV ||||||| |||||||| ||||||||||||||||||| ||||||||||||||||||||||||||||||||||| ||||||||||||| ||||||||||| FDNLSRQ.KAERAFLK..MRDKDTFLNYYESVDKDNF.NQHFKYVFEVLHDFYAENDQYNISDAVQYVNSNEL..TLISLEQYNLNDE.YENEIDDYVNV -----570-------580-------590-------600----- INEKGQETIESLNHKLREATRIGDVELQKYYLQQIVAKNKERM ||||||||||||||||||||||||||||||||||||||||||| INEKGQETIESLNHKLREATRIGDVELQKYYLQQIVAKNKERM