Structure of a G-quadruplex in the Long Terminal Repeat of the proviral HIV-1 genome
Polymer type: polydeoxyribonucleotide
Total | 1H | |
---|---|---|
All | 94.7 % (197 of 208) | 94.7 % (197 of 208) |
Suger, PO4 | 100.0 % (154 of 154) | 100.0 % (154 of 154) |
Nucleobase | 79.6 % (43 of 54) | 79.6 % (43 of 54) |
Aromatic | 88.6 % (39 of 44) | 88.6 % (39 of 44) |
Methyl | 100.0 % (4 of 4) | 100.0 % (4 of 4) |
1. DNA (5'-D(*CP*TP*GP*GP*GP*CP*GP*GP*GP*AP*CP*TP*GP*GP*GP*GP*AP*GP*TP*GP*GP*T)-3')
CTGGGCGGGA CTGGGGAGTG GTSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DNA (5'-D(*CP*TP*GP*GP*GP*CP*GP*GP*GP*AP*CP*TP*GP*GP*GP*GP*AP*GP*TP*GP*GP*T)-3') | natural abundance | 0.1 ~ 1.0 mM | |
2 | K+ | natural abundance | 10 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DNA (5'-D(*CP*TP*GP*GP*GP*CP*GP*GP*GP*AP*CP*TP*GP*GP*GP*GP*AP*GP*TP*GP*GP*T)-3') | natural abundance | 0.1 ~ 1.0 mM | |
2 | K+ | natural abundance | 10 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DNA (5'-D(*CP*TP*GP*GP*GP*CP*GP*GP*GP*AP*CP*TP*GP*GP*GP*GP*AP*GP*TP*GP*GP*T)-3') | natural abundance | 0.1 ~ 1.0 mM | |
2 | K+ | natural abundance | 10 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DNA (5'-D(*CP*TP*GP*GP*GP*CP*GP*GP*GP*AP*CP*TP*GP*GP*GP*GP*AP*GP*TP*GP*GP*T)-3') | natural abundance | 0.1 ~ 1.0 mM | |
2 | K+ | natural abundance | 10 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DNA (5'-D(*CP*TP*GP*GP*GP*CP*GP*GP*GP*AP*CP*TP*GP*GP*GP*GP*AP*GP*TP*GP*GP*T)-3') | natural abundance | 0.1 ~ 1.0 mM | |
2 | K+ | natural abundance | 10 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_25686_2n4y.nef |
Input source #2: Coordindates | 2n4y.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-- CTGGGCGGGACTGGGGAGTGGT |||||||||||||||||||||| CTGGGCGGGACTGGGGAGTGGT
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 22 | 0 | 0 | 100.0 |
Content subtype: combined_25686_2n4y.nef
# | Content subtype | Saveframe | Status | # of rows (sets) | Experiment type | Sequence coverage (%) |
---|---|---|---|---|---|---|
1 | Assigned chemical shifts | assigned_chem_shift_list_1 | OK | 203 | 100.0 (chain: A, length: 22) | |
1 | Distance restraints | CNS/XPLOR_distance_constraints_2 | OK | 662 (1) | noe | 100.0 (chain: A, length: 22) |
2 | Distance restraints | CNS/XPLOR_distance_constraints_4 | OK | 48 (1) | noe | 54.5 (chain: A, length: 22) |
3 | Distance restraints | CNS/XPLOR_distance_constraints_6 | OK | 9 (1) | noe | 40.9 (chain: A, length: 22) |
1 | Dihedral angle restraints | CNS/XPLOR_dihedral_3 | OK | 12 (12) | . | 54.5 (chain: A, length: 22) |
Assigned chemical shifts
--------10--------20-- CTGGGCGGGACTGGGGAGTGGT |||||||||||||||||||||| CTGGGCGGGACTGGGGAGTGGT
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
4 | DG | H21 | 6.815 |
4 | DG | H22 | 9.26 |
15 | DG | H21 | 7.01 |
15 | DG | H22 | 9.53 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 208 | 197 | 94.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 154 | 154 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 54 | 43 | 79.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 4 | 4 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 17 | 17 | 100.0 |
Distance restraints
--------10--------20-- CTGGGCGGGACTGGGGAGTGGT |||||||||||||||||||||| CTGGGCGGGACTGGGGAGTGGT
--------10--------20-- CTGGGCGGGACTGGGGAGTGGT ||| ||| ||| | || ..GGG.GGG....GGG.G.GG --------10--------20-
Dihedral angle restraints
--------10--------20-- CTGGGCGGGACTGGGGAGTGGT ||| ||| ||| | || ..GGG.GGG....GGG.G.GG --------10--------20-