SUP-12 + GGUGUGC
GAMGSRDTMF TKIFVGGLPY HTSDKTLHEY FEQFGDIEEA VVITDRNTQK SRGYGFVTMK DRASAERACK DPNPIIDGRK ANVNLAYLGA KPRTNVQ
Polymer type: polypeptide(L) polyribonucleotide
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 89.6 % (1095 of 1222) | 88.4 % (565 of 639) | 90.3 % (430 of 476) | 93.5 % (100 of 107) |
Backbone | 87.4 % (569 of 651) | 81.3 % (196 of 241) | 88.6 % (281 of 317) | 98.9 % (92 of 93) |
Sidechain | 93.2 % (614 of 659) | 92.7 % (369 of 398) | 96.0 % (237 of 247) | 57.1 % (8 of 14) |
Aromatic | 73.8 % (90 of 122) | 73.8 % (45 of 61) | 81.8 % (45 of 55) | 0.0 % (0 of 6) |
Methyl | 100.0 % (92 of 92) | 100.0 % (46 of 46) | 100.0 % (46 of 46) |
1. SUP-12
GAMGSRDTMF TKIFVGGLPY HTSDKTLHEY FEQFGDIEEA VVITDRNTQK SRGYGFVTMK DRASAERACK DPNPIIDGRK ANVNLAYLGA KPRTNVQ2. GGUGUGC
GGUGUGCSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SUP-12 | [U-99% 13C; U-99% 15N] | 0.2 mM | |
2 | GGUGUGC | natural abundance | 0.24 mM | |
3 | sodium phosphate | natural abundance | 20 mM | |
4 | sodium chloride | natural abundance | 300 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | SUP-12 | [U-99% 13C; U-99% 15N] | 0.4 mM | |
8 | GGUGUGC | natural abundance | 0.42 mM | |
9 | sodium phosphate | natural abundance | 20 mM | |
10 | sodium chloride | natural abundance | 300 mM | |
11 | D2O | natural abundance | 100 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
12 | SUP-12 | [U-10% 13C; U-99% 15N] | 50 uM | |
13 | GGUGUGC | natural abundance | 75 uM | |
14 | sodium phosphate | natural abundance | 20 mM | |
15 | sodium chloride | natural abundance | 300 mM | |
16 | D2O | natural abundance | 100 % |
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 | water | protons | 4.802 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 | water | protons | 4.802 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 | water | protons | 4.802 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 | water | protons | 4.802 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Bruker Avance - 700 MHz 5 mm PATXI 1H-13C/15N/D Z-GRD
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SUP-12 | [U-99% 13C; U-99% 15N] | 0.2 mM | |
2 | GGUGUGC | natural abundance | 0.24 mM | |
3 | sodium phosphate | natural abundance | 20 mM | |
4 | sodium chloride | natural abundance | 300 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 700 MHz 5 mm PATXI 1H-13C/15N/D Z-GRD
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SUP-12 | [U-99% 13C; U-99% 15N] | 0.2 mM | |
2 | GGUGUGC | natural abundance | 0.24 mM | |
3 | sodium phosphate | natural abundance | 20 mM | |
4 | sodium chloride | natural abundance | 300 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 700 MHz 5 mm PATXI 1H-13C/15N/D Z-GRD
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SUP-12 | [U-99% 13C; U-99% 15N] | 0.2 mM | |
2 | GGUGUGC | natural abundance | 0.24 mM | |
3 | sodium phosphate | natural abundance | 20 mM | |
4 | sodium chloride | natural abundance | 300 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 700 MHz 5 mm PATXI 1H-13C/15N/D Z-GRD
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SUP-12 | [U-99% 13C; U-99% 15N] | 0.2 mM | |
2 | GGUGUGC | natural abundance | 0.24 mM | |
3 | sodium phosphate | natural abundance | 20 mM | |
4 | sodium chloride | natural abundance | 300 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 700 MHz 5 mm PATXI 1H-13C/15N/D Z-GRD
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SUP-12 | [U-99% 13C; U-99% 15N] | 0.2 mM | |
2 | GGUGUGC | natural abundance | 0.24 mM | |
3 | sodium phosphate | natural abundance | 20 mM | |
4 | sodium chloride | natural abundance | 300 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz 5 mm CPTXI 1H-13C/15N/D Z-GRD
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | SUP-12 | [U-99% 13C; U-99% 15N] | 0.4 mM | |
8 | GGUGUGC | natural abundance | 0.42 mM | |
9 | sodium phosphate | natural abundance | 20 mM | |
10 | sodium chloride | natural abundance | 300 mM | |
11 | D2O | natural abundance | 100 % |
Bruker Avance - 800 MHz 5 mm CPTXI 1H-13C/15N/D Z-GRD
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | SUP-12 | [U-99% 13C; U-99% 15N] | 0.4 mM | |
8 | GGUGUGC | natural abundance | 0.42 mM | |
9 | sodium phosphate | natural abundance | 20 mM | |
10 | sodium chloride | natural abundance | 300 mM | |
11 | D2O | natural abundance | 100 % |
Bruker Avance - 800 MHz 5 mm CPTXI 1H-13C/15N/D Z-GRD
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | SUP-12 | [U-99% 13C; U-99% 15N] | 0.4 mM | |
8 | GGUGUGC | natural abundance | 0.42 mM | |
9 | sodium phosphate | natural abundance | 20 mM | |
10 | sodium chloride | natural abundance | 300 mM | |
11 | D2O | natural abundance | 100 % |
Bruker Avance - 800 MHz 5 mm CPTXI 1H-13C/15N/D Z-GRD
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | SUP-12 | [U-99% 13C; U-99% 15N] | 0.4 mM | |
8 | GGUGUGC | natural abundance | 0.42 mM | |
9 | sodium phosphate | natural abundance | 20 mM | |
10 | sodium chloride | natural abundance | 300 mM | |
11 | D2O | natural abundance | 100 % |
Bruker Avance - 800 MHz 5 mm CPTXI 1H-13C/15N/D Z-GRD
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | SUP-12 | [U-99% 13C; U-99% 15N] | 0.4 mM | |
8 | GGUGUGC | natural abundance | 0.42 mM | |
9 | sodium phosphate | natural abundance | 20 mM | |
10 | sodium chloride | natural abundance | 300 mM | |
11 | D2O | natural abundance | 100 % |
Bruker Avance - 800 MHz 5 mm CPTXI 1H-13C/15N/D Z-GRD
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | SUP-12 | [U-99% 13C; U-99% 15N] | 0.4 mM | |
8 | GGUGUGC | natural abundance | 0.42 mM | |
9 | sodium phosphate | natural abundance | 20 mM | |
10 | sodium chloride | natural abundance | 300 mM | |
11 | D2O | natural abundance | 100 % |
Bruker Avance - 800 MHz 5 mm CPTXI 1H-13C/15N/D Z-GRD
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | SUP-12 | [U-99% 13C; U-99% 15N] | 0.4 mM | |
8 | GGUGUGC | natural abundance | 0.42 mM | |
9 | sodium phosphate | natural abundance | 20 mM | |
10 | sodium chloride | natural abundance | 300 mM | |
11 | D2O | natural abundance | 100 % |
Bruker Avance - 800 MHz 5 mm CPTXI 1H-13C/15N/D Z-GRD
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | SUP-12 | [U-99% 13C; U-99% 15N] | 0.4 mM | |
8 | GGUGUGC | natural abundance | 0.42 mM | |
9 | sodium phosphate | natural abundance | 20 mM | |
10 | sodium chloride | natural abundance | 300 mM | |
11 | D2O | natural abundance | 100 % |
Bruker Avance - 700 MHz 5 mm PATXI 1H-13C/15N/D Z-GRD
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
12 | SUP-12 | [U-10% 13C; U-99% 15N] | 50 uM | |
13 | GGUGUGC | natural abundance | 75 uM | |
14 | sodium phosphate | natural abundance | 20 mM | |
15 | sodium chloride | natural abundance | 300 mM | |
16 | D2O | natural abundance | 100 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints | combined_18846_4cio.nef |
Input source #2: Coordindates | 4cio.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
----30--------40--------50--------60--------70--------80--------90-------100-------110-------120- GAMGSRDTMFTKIFVGGLPYHTSDKTLHEYFEQFGDIEEAVVITDRNTQKSRGYGFVTMKDRASAERACKDPNPIIDGRKANVNLAYLGAKPRTNVQ ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GAMGSRDTMFTKIFVGGLPYHTSDKTLHEYFEQFGDIEEAVVITDRNTQKSRGYGFVTMKDRASAERACKDPNPIIDGRKANVNLAYLGAKPRTNVQ --------10--------20--------30--------40--------50--------60--------70--------80--------90-------
------- GGUGUGC ||||||| GGUGUGC
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 97 | 0 | 0 | 100.0 |
B | B | 7 | 0 | 0 | 100.0 |
Content subtype: combined_18846_4cio.nef
Assigned chemical shifts
----30--------40--------50--------60--------70--------80--------90-------100-------110-------120- GAMGSRDTMFTKIFVGGLPYHTSDKTLHEYFEQFGDIEEAVVITDRNTQKSRGYGFVTMKDRASAERACKDPNPIIDGRKANVNLAYLGAKPRTNVQ ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GAMGSRDTMFTKIFVGGLPYHTSDKTLHEYFEQFGDIEEAVVITDRNTQKSRGYGFVTMKDRASAERACKDPNPIIDGRKANVNLAYLGAKPRTNVQ
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 579 | 570 | 98.4 |
13C chemical shifts | 431 | 430 | 99.8 |
15N chemical shifts | 108 | 99 | 91.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 199 | 197 | 99.0 |
13C chemical shifts | 194 | 193 | 99.5 |
15N chemical shifts | 93 | 91 | 97.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 380 | 373 | 98.2 |
13C chemical shifts | 237 | 237 | 100.0 |
15N chemical shifts | 15 | 8 | 53.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 49 | 49 | 100.0 |
13C chemical shifts | 49 | 49 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 45 | 45 | 100.0 |
13C chemical shifts | 45 | 45 | 100.0 |
Distance restraints
----30--------40--------50--------60--------70--------80--------90-------100-------110-------120- GAMGSRDTMFTKIFVGGLPYHTSDKTLHEYFEQFGDIEEAVVITDRNTQKSRGYGFVTMKDRASAERACKDPNPIIDGRKANVNLAYLGAKPRTNVQ || ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .AM.SRDTMFTKIFVGGLPYHTSDKTLHEYFEQFGDIEEAVVITDRNTQKSRGYGFVTMKDRASAERACKDPNPIIDGRKANVNLAYLGAKPRTNVQ
------- GGUGUGC ||||||| GGUGUGC
Dihedral angle restraints
----30--------40--------50--------60--------70--------80--------90-------100-------110-------120- GAMGSRDTMFTKIFVGGLPYHTSDKTLHEYFEQFGDIEEAVVITDRNTQKSRGYGFVTMKDRASAERACKDPNPIIDGRKANVNLAYLGAKPRTNVQ ||||||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||||| | .......TMFTKIFVGGLPYHTSDKTLHEYFEQFGDIEEAVVITDRNTQK.RGYGFVTMKDRASAERACKDPNPIIDGRKANVNLAYLGAK....V ----30--------40--------50--------60--------70--------80--------90-------100-------110-------120
------- GGUGUGC ||||||| GGUGUGC
RDC restraints
----30--------40--------50--------60--------70--------80--------90-------100-------110-------120- GAMGSRDTMFTKIFVGGLPYHTSDKTLHEYFEQFGDIEEAVVITDRNTQKSRGYGFVTMKDRASAERACKDPNPIIDGRKANVNLAYLGAKPRTNVQ |||| | ||| |||||||||||||| |||||| | | || |||||| ||||||| | ||||||| |||| ||| ........MFTK...G......SDK..HEYFEQFGDIEEAV.ITDRNT.K.R..GF.TMKDRA.AERACKD.N.IIDGRKA.VNLA..GAK ----30--------40--------50--------60--------70--------80--------90-------100-------110-----