HIV-1 reverse transcriptase thumb subdomain
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 76.3 % (840 of 1101) | 81.0 % (465 of 574) | 66.7 % (288 of 432) | 91.6 % (87 of 95) |
Backbone | 75.5 % (400 of 530) | 86.0 % (154 of 179) | 63.5 % (169 of 266) | 90.6 % (77 of 85) |
Sidechain | 78.8 % (518 of 657) | 78.7 % (311 of 395) | 78.2 % (197 of 252) | 100.0 % (10 of 10) |
Aromatic | 37.5 % (30 of 80) | 60.0 % (24 of 40) | 8.1 % (3 of 37) | 100.0 % (3 of 3) |
Methyl | 88.5 % (108 of 122) | 88.5 % (54 of 61) | 88.5 % (54 of 61) |
1. entity 1
DKWTVQPIVL PEKDSWTVND IQKLVGKLNW ASQIYPGIKV RQLSKLLRGT KALTEVIPLT EEAELELAEN REILKEPVHG VYLEHHHHHHSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8, Details [U-13C],[U-15N]-labeled RT thumb subdomain, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 1 mM | |
2 | Sodium Phosphate | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 100 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Bruker Avance600 - 600 MHz 5 mm triple resonance, Z-axis gradient cryoprobes
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8, Details [U-13C],[U-15N]-labeled RT thumb subdomain, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 1 mM | |
2 | Sodium Phosphate | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 100 mM |
Bruker Avance700 - 700 MHz 5 mm triple resonance, Z-axis gradient cryoprobes
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8, Details [U-13C],[U-15N]-labeled RT thumb subdomain, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 1 mM | |
2 | Sodium Phosphate | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 100 mM |
Bruker Avance700 - 700 MHz 5 mm triple resonance, Z-axis gradient cryoprobes
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8, Details [U-13C],[U-15N]-labeled RT thumb subdomain, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 1 mM | |
2 | Sodium Phosphate | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 100 mM |
Bruker Avance700 - 700 MHz 5 mm triple resonance, Z-axis gradient cryoprobes
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8, Details [U-13C],[U-15N]-labeled RT thumb subdomain, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 1 mM | |
2 | Sodium Phosphate | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 100 mM |
Bruker Avance700 - 700 MHz 5 mm triple resonance, Z-axis gradient cryoprobes
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8, Details [U-13C],[U-15N]-labeled RT thumb subdomain, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 1 mM | |
2 | Sodium Phosphate | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 100 mM |
Bruker Avance700 - 700 MHz 5 mm triple resonance, Z-axis gradient cryoprobes
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8, Details [U-13C],[U-15N]-labeled RT thumb subdomain, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 1 mM | |
2 | Sodium Phosphate | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 100 mM |
Bruker Avance700 - 700 MHz 5 mm triple resonance, Z-axis gradient cryoprobes
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8, Details [U-13C],[U-15N]-labeled RT thumb subdomain, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-13C; U-15N] | 1 mM | |
2 | Sodium Phosphate | natural abundance | 25 mM | |
3 | NaCl | natural abundance | 100 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_30171_5t82.nef |
Input source #2: Coordindates | 5t82.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
---240-----250-------260-------270-------280-------290-------300-------310-------320------ DKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLSKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYLEHHHHHH |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| DKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLSKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYLEHHHHHH --------10--------20--------30--------40--------50--------60--------70--------80--------90
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 90 | 0 | 0 | 100.0 |
Content subtype: combined_30171_5t82.nef
Assigned chemical shifts
---240-----250-------260-------270-------280-------290-------300-------310-------320------ DKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLSKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYLEHHHHHH |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| DKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLSKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVY ---240-----250-------260-------270-------280-------290-------300-------310--------
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
240 | THR | HG1 | 1.123 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 574 | 466 | 81.2 |
13C chemical shifts | 432 | 276 | 63.9 |
15N chemical shifts | 98 | 86 | 87.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 179 | 156 | 87.2 |
13C chemical shifts | 180 | 82 | 45.6 |
15N chemical shifts | 85 | 76 | 89.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 395 | 310 | 78.5 |
13C chemical shifts | 252 | 194 | 77.0 |
15N chemical shifts | 13 | 10 | 76.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 61 | 55 | 90.2 |
13C chemical shifts | 61 | 54 | 88.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 40 | 22 | 55.0 |
13C chemical shifts | 37 | 0 | 0.0 |
15N chemical shifts | 3 | 3 | 100.0 |
Distance restraints
---240-----250-------260-------270-------280-------290-------300-------310-------320------ DKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLSKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYLEHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||| DKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLSKLLRGTKALTEVI.LTEEAELELAENREILKEPVHGVYLE ---240-----250-------260-------270-------280-------290-------300-------310-------320
Dihedral angle restraints
---240-----250-------260-------270-------280-------290-------300-------310-------320------ DKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLSKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYLEHHHHHH |||||||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||||| ......PIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLSKLLR..KALTEVIPLTEEAELELAENREILKEP ---240-----250-------260-------270-------280-------290-------300-------310---