NMR structure of the DNA-bound helix bundle domain from the functional pRN1 primase
TVVEFEELRK ELVKRDSGKP VEKIKEEICT KSPPKLIKEI ICENKTYADV NIDRSRGDWH VILYLMKHGV TDPDKILELL PRDSKAKENE KWNTQKYFVI TLSKAWSVVK KYLEA
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 2:CYS29:SG | 2:CYS42:SG |
Polymer type: polydeoxyribonucleotide polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 73.7 % (1124 of 1525) | 80.3 % (680 of 847) | 60.4 % (338 of 560) | 89.8 % (106 of 118) |
Backbone | 74.3 % (552 of 743) | 90.7 % (264 of 291) | 54.1 % (185 of 342) | 93.6 % (103 of 110) |
Sidechain | 74.5 % (666 of 894) | 74.8 % (416 of 556) | 74.8 % (247 of 330) | 37.5 % (3 of 8) |
Aromatic | 70.2 % (80 of 114) | 75.8 % (50 of 66) | 60.0 % (27 of 45) | 100.0 % (3 of 3) |
Methyl | 87.8 % (122 of 139) | 88.7 % (63 of 71) | 86.8 % (59 of 68) |
1. entity 1
CTGTGCTCA2. entity 2
TVVEFEELRK ELVKRDSGKP VEKIKEEICT KSPPKLIKEI ICENKTYADV NIDRSRGDWH VILYLMKHGV TDPDKILELL PRDSKAKENE KWNTQKYFVI TLSKAWSVVK KYLEASolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 5.5, Details 1.0 mM [U-99% 13C; U-99% 15N] DNA-bound helix bundle domain, 1.0 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DNA-bound helix bundle domain | [U-99% 13C; U-99% 15N] | 1.0 (±0.1) mM | |
2 | DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3') | natural abundance | 1.0 (±0.1) mM | |
3 | NaCl | natural abundance | 100 mM |
Solvent system 100% D2O, Pressure 1 atm, Temperature 323 K, pH 5.5, Details 0.7 mM [U-100% 13C] DNA-bound helix bundle domain, 0.7 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | DNA-bound helix bundle domain | [U-100% 13C] | 0.7 (±0.1) mM | |
5 | DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3') | natural abundance | 0.7 (±0.1) mM | |
6 | NaCl | natural abundance | 100 mM |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 5.5, Details 1.1 mM [U-99% 15N] DNA-bound helix bundle domain, 1.1 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | DNA-bound helix bundle domain | [U-99% 15N] | 1.1 (±0.1) mM | |
8 | DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3') | natural abundance | 1.1 (±0.1) mM | |
9 | NaCl | natural abundance | 50 mM |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 5.5, Details 1.0 mM DNA-bound helix bundle domain, 1.0 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
10 | DNA-bound helix bundle domain | natural abundance | 1.0 mM | |
11 | DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3') | natural abundance | 1.0 mM | |
12 | NaCl | natural abundance | 50 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.7 ppm | internal | direct | 1.0 |
1H | water | protons | 4.7 ppm | internal | direct | 1.0 |
15N | water | protons | 4.7 ppm | internal | direct | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.7 ppm | internal | direct | 1.0 |
1H | water | protons | 4.7 ppm | internal | direct | 1.0 |
15N | water | protons | 4.7 ppm | internal | direct | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.7 ppm | internal | direct | 1.0 |
1H | water | protons | 4.7 ppm | internal | direct | 1.0 |
15N | water | protons | 4.7 ppm | internal | direct | 1.0 |
Bruker AVANCE III - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 5.5, Details 1.0 mM [U-99% 13C; U-99% 15N] DNA-bound helix bundle domain, 1.0 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DNA-bound helix bundle domain | [U-99% 13C; U-99% 15N] | 1.0 (±0.1) mM | |
2 | DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3') | natural abundance | 1.0 (±0.1) mM | |
3 | NaCl | natural abundance | 100 mM |
Bruker AVANCE III - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 5.5, Details 1.0 mM [U-99% 13C; U-99% 15N] DNA-bound helix bundle domain, 1.0 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DNA-bound helix bundle domain | [U-99% 13C; U-99% 15N] | 1.0 (±0.1) mM | |
2 | DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3') | natural abundance | 1.0 (±0.1) mM | |
3 | NaCl | natural abundance | 100 mM |
Bruker AVANCE III - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 5.5, Details 1.0 mM [U-99% 13C; U-99% 15N] DNA-bound helix bundle domain, 1.0 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DNA-bound helix bundle domain | [U-99% 13C; U-99% 15N] | 1.0 (±0.1) mM | |
2 | DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3') | natural abundance | 1.0 (±0.1) mM | |
3 | NaCl | natural abundance | 100 mM |
Bruker AVANCE III - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 5.5, Details 1.0 mM [U-99% 13C; U-99% 15N] DNA-bound helix bundle domain, 1.0 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DNA-bound helix bundle domain | [U-99% 13C; U-99% 15N] | 1.0 (±0.1) mM | |
2 | DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3') | natural abundance | 1.0 (±0.1) mM | |
3 | NaCl | natural abundance | 100 mM |
Bruker AVANCE III - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 5.5, Details 1.0 mM [U-99% 13C; U-99% 15N] DNA-bound helix bundle domain, 1.0 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DNA-bound helix bundle domain | [U-99% 13C; U-99% 15N] | 1.0 (±0.1) mM | |
2 | DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3') | natural abundance | 1.0 (±0.1) mM | |
3 | NaCl | natural abundance | 100 mM |
Bruker AVANCE III - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 5.5, Details 1.0 mM [U-99% 13C; U-99% 15N] DNA-bound helix bundle domain, 1.0 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DNA-bound helix bundle domain | [U-99% 13C; U-99% 15N] | 1.0 (±0.1) mM | |
2 | DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3') | natural abundance | 1.0 (±0.1) mM | |
3 | NaCl | natural abundance | 100 mM |
Bruker AVANCE III HD - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 5.5, Details 1.0 mM [U-99% 13C; U-99% 15N] DNA-bound helix bundle domain, 1.0 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DNA-bound helix bundle domain | [U-99% 13C; U-99% 15N] | 1.0 (±0.1) mM | |
2 | DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3') | natural abundance | 1.0 (±0.1) mM | |
3 | NaCl | natural abundance | 100 mM |
Bruker AVANCE III HD - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 5.5, Details 1.0 mM [U-99% 13C; U-99% 15N] DNA-bound helix bundle domain, 1.0 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DNA-bound helix bundle domain | [U-99% 13C; U-99% 15N] | 1.0 (±0.1) mM | |
2 | DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3') | natural abundance | 1.0 (±0.1) mM | |
3 | NaCl | natural abundance | 100 mM |
Bruker AVANCE III HD - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 5.5, Details 1.0 mM [U-99% 13C; U-99% 15N] DNA-bound helix bundle domain, 1.0 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DNA-bound helix bundle domain | [U-99% 13C; U-99% 15N] | 1.0 (±0.1) mM | |
2 | DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3') | natural abundance | 1.0 (±0.1) mM | |
3 | NaCl | natural abundance | 100 mM |
Bruker AVANCE III - 700 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 323 K, pH 5.5, Details 0.7 mM [U-100% 13C] DNA-bound helix bundle domain, 0.7 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | DNA-bound helix bundle domain | [U-100% 13C] | 0.7 (±0.1) mM | |
5 | DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3') | natural abundance | 0.7 (±0.1) mM | |
6 | NaCl | natural abundance | 100 mM |
Bruker AVANCE III - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 5.5, Details 1.1 mM [U-99% 15N] DNA-bound helix bundle domain, 1.1 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | DNA-bound helix bundle domain | [U-99% 15N] | 1.1 (±0.1) mM | |
8 | DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3') | natural abundance | 1.1 (±0.1) mM | |
9 | NaCl | natural abundance | 50 mM |
Bruker AVANCE III - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5, Details 1.1 mM [U-99% 15N] DNA-bound helix bundle domain, 1.1 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | DNA-bound helix bundle domain | [U-99% 15N] | 1.1 (±0.1) mM | |
8 | DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3') | natural abundance | 1.1 (±0.1) mM | |
9 | NaCl | natural abundance | 50 mM |
Bruker AVANCE III - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 1.1 mM [U-99% 15N] DNA-bound helix bundle domain, 1.1 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | DNA-bound helix bundle domain | [U-99% 15N] | 1.1 (±0.1) mM | |
8 | DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3') | natural abundance | 1.1 (±0.1) mM | |
9 | NaCl | natural abundance | 50 mM |
Bruker AVANCE III HD - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5, Details 1.1 mM [U-99% 15N] DNA-bound helix bundle domain, 1.1 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | DNA-bound helix bundle domain | [U-99% 15N] | 1.1 (±0.1) mM | |
8 | DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3') | natural abundance | 1.1 (±0.1) mM | |
9 | NaCl | natural abundance | 50 mM |
Bruker AVANCE III - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 1.1 mM [U-99% 15N] DNA-bound helix bundle domain, 1.1 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | DNA-bound helix bundle domain | [U-99% 15N] | 1.1 (±0.1) mM | |
8 | DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3') | natural abundance | 1.1 (±0.1) mM | |
9 | NaCl | natural abundance | 50 mM |
Bruker AVANCE III - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 5.5, Details 1.0 mM DNA-bound helix bundle domain, 1.0 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
10 | DNA-bound helix bundle domain | natural abundance | 1.0 mM | |
11 | DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3') | natural abundance | 1.0 mM | |
12 | NaCl | natural abundance | 50 mM |
Bruker AVANCE III - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5, Details 1.0 mM DNA-bound helix bundle domain, 1.0 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
10 | DNA-bound helix bundle domain | natural abundance | 1.0 mM | |
11 | DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3') | natural abundance | 1.0 mM | |
12 | NaCl | natural abundance | 50 mM |
Bruker AVANCE III - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 5.5, Details 1.0 mM DNA-bound helix bundle domain, 1.0 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
10 | DNA-bound helix bundle domain | natural abundance | 1.0 mM | |
11 | DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3') | natural abundance | 1.0 mM | |
12 | NaCl | natural abundance | 50 mM |
Bruker AVANCE III - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5, Details 1.0 mM DNA-bound helix bundle domain, 1.0 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
10 | DNA-bound helix bundle domain | natural abundance | 1.0 mM | |
11 | DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3') | natural abundance | 1.0 mM | |
12 | NaCl | natural abundance | 50 mM |
Bruker AVANCE III - 700 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 323 K, pH 5.5, Details 0.7 mM [U-100% 13C] DNA-bound helix bundle domain, 0.7 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | DNA-bound helix bundle domain | [U-100% 13C] | 0.7 (±0.1) mM | |
5 | DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3') | natural abundance | 0.7 (±0.1) mM | |
6 | NaCl | natural abundance | 100 mM |
Bruker AVANCE III - 700 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 323 K, pH 5.5, Details 0.7 mM [U-100% 13C] DNA-bound helix bundle domain, 0.7 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | DNA-bound helix bundle domain | [U-100% 13C] | 0.7 (±0.1) mM | |
5 | DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3') | natural abundance | 0.7 (±0.1) mM | |
6 | NaCl | natural abundance | 100 mM |
Bruker AVANCE III - 700 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 323 K, pH 5.5, Details 0.7 mM [U-100% 13C] DNA-bound helix bundle domain, 0.7 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | DNA-bound helix bundle domain | [U-100% 13C] | 0.7 (±0.1) mM | |
5 | DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3') | natural abundance | 0.7 (±0.1) mM | |
6 | NaCl | natural abundance | 100 mM |
Bruker AVANCE III - 700 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 323 K, pH 5.5, Details 0.7 mM [U-100% 13C] DNA-bound helix bundle domain, 0.7 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | DNA-bound helix bundle domain | [U-100% 13C] | 0.7 (±0.1) mM | |
5 | DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3') | natural abundance | 0.7 (±0.1) mM | |
6 | NaCl | natural abundance | 100 mM |
Bruker AVANCE III - 700 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5, Details 0.7 mM [U-100% 13C] DNA-bound helix bundle domain, 0.7 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | DNA-bound helix bundle domain | [U-100% 13C] | 0.7 (±0.1) mM | |
5 | DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3') | natural abundance | 0.7 (±0.1) mM | |
6 | NaCl | natural abundance | 100 mM |
Bruker AVANCE III - 700 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5, Details 0.7 mM [U-100% 13C] DNA-bound helix bundle domain, 0.7 mM DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | DNA-bound helix bundle domain | [U-100% 13C] | 0.7 (±0.1) mM | |
5 | DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3') | natural abundance | 0.7 (±0.1) mM | |
6 | NaCl | natural abundance | 100 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_34291_6gvu.nef |
Input source #2: Coordindates | 6gvu.cif |
Diamagnetism of the molecular assembly | True (excluding Oxygen atoms) |
Whether the assembly has a disulfide bond | True (see coordinates for details) |
Whether the assembly has a other bond | None |
Whether the assembly contains a cyclic polymer | None |
Overall data processing status | Warning |
Disulfide bonds
Ptnr_site_1 | Ptnr_site_2 | Redox_state_prediction_1 | Redox_state_prediction_2 | Distance (Å) |
---|---|---|---|---|
B:284:CYS:SG | B:297:CYS:SG | oxidized, CA 58.456, CB 40.998 ppm | oxidized, CB 39.071 ppm | 2.039 |
Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneSequence alignments
--------- CTGTGCTCA ||||||||| CTGTGCTCA
--260-------270-------280-------290-------300-------310-------320-------330-------340-------350----- TVVEFEELRKELVKRDSGKPVEKIKEEICTKSPPKLIKEIICENKTYADVNIDRSRGDWHVILYLMKHGVTDPDKILELLPRDSKAKENEKWNTQKYFVI |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| TVVEFEELRKELVKRDSGKPVEKIKEEICTKSPPKLIKEIICENKTYADVNIDRSRGDWHVILYLMKHGVTDPDKILELLPRDSKAKENEKWNTQKYFVI --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 --360-------370 TLSKAWSVVKKYLEA ||||||||||||||| TLSKAWSVVKKYLEA -------110-----
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 9 | 0 | 0 | 100.0 |
B | B | 115 | 0 | 0 | 100.0 |
Content subtype: combined_34291_6gvu.nef
Assigned chemical shifts
--------- CTGTGCTCA ||||||||| CTGTGCTCA
--260-------270-------280-------290-------300-------310-------320-------330-------340-------350----- TVVEFEELRKELVKRDSGKPVEKIKEEICTKSPPKLIKEIICENKTYADVNIDRSRGDWHVILYLMKHGVTDPDKILELLPRDSKAKENEKWNTQKYFVI |||||||||||||||||| ||||||||||| | ||||||||||||||||||||||||||| |||||| ||||||| |||||||| || ||||||| .VVEFEELRKELVKRDSGK.VEKIKEEICTK.....I.EIICENKTYADVNIDRSRGDWHVILYL.KHGVTD.DKILELL.RDSKAKEN.KW.TQKYFVI --360-------370 TLSKAWSVVKKYLEA ||||||||||||||| TLSKAWSVVKKYLEA
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 90 | 76 | 84.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 63 | 61 | 96.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 27 | 15 | 55.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 3 | 3 | 100.0 |
13C chemical shifts | 3 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 4 | 3 | 75.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 757 | 583 | 77.0 |
13C chemical shifts | 560 | 303 | 54.1 |
15N chemical shifts | 123 | 104 | 84.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 228 | 197 | 86.4 |
13C chemical shifts | 230 | 66 | 28.7 |
15N chemical shifts | 110 | 101 | 91.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 529 | 386 | 73.0 |
13C chemical shifts | 330 | 237 | 71.8 |
15N chemical shifts | 13 | 3 | 23.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 69 | 57 | 82.6 |
13C chemical shifts | 69 | 57 | 82.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 48 | 38 | 79.2 |
13C chemical shifts | 45 | 27 | 60.0 |
15N chemical shifts | 3 | 3 | 100.0 |
Covalent bonds
Distance restraints
--------- CTGTGCTCA ||||||||| CTGTGCTCA
--260-------270-------280-------290-------300-------310-------320-------330-------340-------350----- TVVEFEELRKELVKRDSGKPVEKIKEEICTKSPPKLIKEIICENKTYADVNIDRSRGDWHVILYLMKHGVTDPDKILELLPRDSKAKENEKWNTQKYFVI |||||||||||||||||| ||||||||||| | ||||||||||||||||||||||||||| |||||| ||||||| |||||||| || ||||||| .VVEFEELRKELVKRDSGK.VEKIKEEICTK.....I.EIICENKTYADVNIDRSRGDWHVILYL.KHGVTD.DKILELL.RDSKAKEN.KW.TQKYFVI --360-------370 TLSKAWSVVKKYLEA ||||||||||||||| TLSKAWSVVKKYLEA
--260-------270-------280-------290-------300-------310-------320-------330-------340-------350----- TVVEFEELRKELVKRDSGKPVEKIKEEICTKSPPKLIKEIICENKTYADVNIDRSRGDWHVILYLMKHGVTDPDKILELLPRDSKAKENEKWNTQKYFVI ||||||||||||||| | |||||||| |||||||| ||||||||||||||| ||| ||| |||||||||| TVVEFEELRKELVKR.....V.KIKEEICT....KLIKEIIC...........RSRGDWHVILYLMKH....PDK.LEL...........KWNTQKYFVI --260-------270-------280-------290-------300-------310-------320-------330-------340-------350----- --360-------370 TLSKAWSVVKKYLEA |||||||||||||| TLSKAWSVVKKYLE --360---------
Dihedral angle restraints
--------- CTGTGCTCA ||||||||| CTGTGCTCA
--260-------270-------280-------290-------300-------310-------320-------330-------340-------350----- TVVEFEELRKELVKRDSGKPVEKIKEEICTKSPPKLIKEIICENKTYADVNIDRSRGDWHVILYLMKHGVTDPDKILELLPRDSKAKENEKWNTQKYFVI |||||||||||||||| |||||||||||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| TVVEFEELRKELVKRD.GKPVEKIKEEICTK..PKLIKEIICENKTYADVNIDRSRGDWHVILYLMKHGVTDPDKILELLPRDSKAKENEKWNTQKYFVI --260-------270-------280-------290-------300-------310-------320-------330-------340-------350----- --360-------370 TLSKAWSVVKKYLEA |||||||||||||| TLSKAWSVVKKYLE --360---------