The solution structure of the C-terminal domain of BldD from Streptomyces coelicolor
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 94.6 % (959 of 1014) | 93.7 % (494 of 527) | 94.9 % (376 of 396) | 97.8 % (89 of 91) |
Backbone | 96.0 % (501 of 522) | 96.0 % (169 of 176) | 95.4 % (251 of 263) | 97.6 % (81 of 83) |
Sidechain | 93.8 % (541 of 577) | 92.6 % (325 of 351) | 95.4 % (208 of 218) | 100.0 % (8 of 8) |
Aromatic | 90.0 % (36 of 40) | 90.0 % (18 of 20) | 89.5 % (17 of 19) | 100.0 % (1 of 1) |
Methyl | 100.0 % (120 of 120) | 100.0 % (60 of 60) | 100.0 % (60 of 60) |
1. BldD-CTD
MEPPPKLVLD LERLATVPAE KAGPLQRYAA TIQSQRGDYN GKVLSIRQDD LRTLAVIYDQ SPSVLTEQLI SWGVLDADAR RAVASHDELSolvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 295 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | BldD-CTD | [U-99% 13C; U-98% 15N] | 2 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium azide | natural abundance | 0.005 % | |
5 | H2O | natural abundance | 93 % | |
6 | D2O | natural abundance | 7 % |
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 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
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 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
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 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
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 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Bruker Avance - 500 MHz equipped with a cryoprobe
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 295 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | BldD-CTD | [U-99% 13C; U-98% 15N] | 2 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium azide | natural abundance | 0.005 % | |
5 | H2O | natural abundance | 93 % | |
6 | D2O | natural abundance | 7 % |
Bruker Avance - 500 MHz equipped with a cryoprobe
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 295 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | BldD-CTD | [U-99% 13C; U-98% 15N] | 2 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium azide | natural abundance | 0.005 % | |
5 | H2O | natural abundance | 93 % | |
6 | D2O | natural abundance | 7 % |
Bruker Avance - 500 MHz equipped with a cryoprobe
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 295 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | BldD-CTD | [U-99% 13C; U-98% 15N] | 2 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium azide | natural abundance | 0.005 % | |
5 | H2O | natural abundance | 93 % | |
6 | D2O | natural abundance | 7 % |
Bruker Avance - 500 MHz equipped with a cryoprobe
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 295 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | BldD-CTD | [U-99% 13C; U-98% 15N] | 2 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium azide | natural abundance | 0.005 % | |
5 | H2O | natural abundance | 93 % | |
6 | D2O | natural abundance | 7 % |
Bruker Avance - 500 MHz equipped with a cryoprobe
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 295 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | BldD-CTD | [U-99% 13C; U-98% 15N] | 2 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium azide | natural abundance | 0.005 % | |
5 | H2O | natural abundance | 93 % | |
6 | D2O | natural abundance | 7 % |
Bruker Avance - 500 MHz equipped with a cryoprobe
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 295 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | BldD-CTD | [U-99% 13C; U-98% 15N] | 2 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium azide | natural abundance | 0.005 % | |
5 | H2O | natural abundance | 93 % | |
6 | D2O | natural abundance | 7 % |
Bruker Avance - 500 MHz equipped with a cryoprobe
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 295 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | BldD-CTD | [U-99% 13C; U-98% 15N] | 2 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium azide | natural abundance | 0.005 % | |
5 | H2O | natural abundance | 93 % | |
6 | D2O | natural abundance | 7 % |
Bruker Avance - 500 MHz equipped with a cryoprobe
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 295 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | BldD-CTD | [U-99% 13C; U-98% 15N] | 2 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium azide | natural abundance | 0.005 % | |
5 | H2O | natural abundance | 93 % | |
6 | D2O | natural abundance | 7 % |
Bruker Avance - 500 MHz equipped with a cryoprobe
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 295 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | BldD-CTD | [U-99% 13C; U-98% 15N] | 2 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium azide | natural abundance | 0.005 % | |
5 | H2O | natural abundance | 93 % | |
6 | D2O | natural abundance | 7 % |
Bruker Avance - 500 MHz equipped with a cryoprobe
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 295 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | BldD-CTD | [U-99% 13C; U-98% 15N] | 2 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium azide | natural abundance | 0.005 % | |
5 | H2O | natural abundance | 93 % | |
6 | D2O | natural abundance | 7 % |
Bruker Avance - 500 MHz equipped with a cryoprobe
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 295 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | BldD-CTD | [U-99% 13C; U-98% 15N] | 2 mM | |
2 | sodium phosphate | natural abundance | 40 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | sodium azide | natural abundance | 0.005 % | |
5 | H2O | natural abundance | 93 % | |
6 | D2O | natural abundance | 7 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_19427_2mc4.nef |
Input source #2: Coordindates | 2mc4.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--------- MEPPPKLVLDLERLATVPAEKAGPLQRYAATIQSQRGDYNGKVLSIRQDDLRTLAVIYDQSPSVLTEQLISWGVLDADARRAVASHDEL ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MEPPPKLVLDLERLATVPAEKAGPLQRYAATIQSQRGDYNGKVLSIRQDDLRTLAVIYDQSPSVLTEQLISWGVLDADARRAVASHDEL
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 89 | 0 | 0 | 100.0 |
Content subtype: combined_19427_2mc4.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------- MEPPPKLVLDLERLATVPAEKAGPLQRYAATIQSQRGDYNGKVLSIRQDDLRTLAVIYDQSPSVLTEQLISWGVLDADARRAVASHDEL ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ....PKLVLDLERLATVPAEKAGPLQRYAATIQSQRGDYNGKVLSIRQDDLRTLAVIYDQSPSVLTEQLISWGVLDADARRAVASHDEL
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 527 | 489 | 92.8 |
13C chemical shifts | 396 | 368 | 92.9 |
15N chemical shifts | 98 | 88 | 89.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 176 | 169 | 96.0 |
13C chemical shifts | 178 | 164 | 92.1 |
15N chemical shifts | 83 | 80 | 96.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 351 | 320 | 91.2 |
13C chemical shifts | 218 | 204 | 93.6 |
15N chemical shifts | 15 | 8 | 53.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 61 | 60 | 98.4 |
13C chemical shifts | 61 | 60 | 98.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 20 | 18 | 90.0 |
13C chemical shifts | 19 | 17 | 89.5 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------- MEPPPKLVLDLERLATVPAEKAGPLQRYAATIQSQRGDYNGKVLSIRQDDLRTLAVIYDQSPSVLTEQLISWGVLDADARRAVASHDEL |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| || ....PKLVLDLERLATVPAEKAGPLQRYAATIQSQRGDYNGKVLSIRQDDLRTLAVIYDQSPSVLTEQLISWGVLDADARRAVA...EL
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------- MEPPPKLVLDLERLATVPAEKAGPLQRYAATIQSQRGDYNGKVLSIRQDDLRTLAVIYDQSPSVLTEQLISWGVLDADARRAVASHDEL ||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||||||||||||| ....PKLVLDLERLATVPAEKAGPLQRYAATIQSQRG...GKVLSIRQDDLRTLAVIYDQSPSVLTEQLISWGVLDADARRAV --------10--------20--------30--------40--------50--------60--------70--------80---