NMR structure of the HLTF HIRAN domain in its DNA-bound conformation.
GSDEEVDSVL FGSLRGHVVG LRYYTGVVNN NEMVALQRDP NNPYDKNAIK VNNVNGNQVG HLKKELAGAL AYIMDNKLAQ IEGVVPFGAN NAFTMPLHMT FWGKEENRKA VSDQLKKHGF KL
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 84.7 % (1203 of 1420) | 83.5 % (617 of 739) | 86.4 % (470 of 544) | 84.7 % (116 of 137) |
Backbone | 96.4 % (698 of 724) | 97.2 % (245 of 252) | 95.2 % (337 of 354) | 98.3 % (116 of 118) |
Sidechain | 75.3 % (607 of 806) | 76.4 % (372 of 487) | 78.3 % (235 of 300) | 0.0 % (0 of 19) |
Aromatic | 3.6 % (4 of 110) | 3.6 % (2 of 55) | 3.7 % (2 of 54) | 0.0 % (0 of 1) |
Methyl | 98.5 % (130 of 132) | 98.5 % (65 of 66) | 98.5 % (65 of 66) |
1. entity
GSDEEVDSVL FGSLRGHVVG LRYYTGVVNN NEMVALQRDP NNPYDKNAIK VNNVNGNQVG HLKKELAGAL AYIMDNKLAQ IEGVVPFGAN NAFTMPLHMT FWGKEENRKA VSDQLKKHGF KLSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 57.0 ppm | internal | indirect | 1.0 |
1H | water | protons | 4.7 ppm | internal | direct | 1.0 |
15N | water | protons | 119.0 ppm | internal | indirect | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 57.0 ppm | internal | indirect | 1.0 |
1H | water | protons | 4.7 ppm | internal | direct | 1.0 |
15N | water | protons | 119.0 ppm | internal | indirect | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 57.0 ppm | internal | indirect | 1.0 |
1H | water | protons | 4.7 ppm | internal | direct | 1.0 |
15N | water | protons | 119.0 ppm | internal | indirect | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 57.0 ppm | internal | indirect | 1.0 |
1H | water | protons | 4.7 ppm | internal | direct | 1.0 |
15N | water | protons | 119.0 ppm | internal | indirect | 1.0 |
Agilent PremiumCOMPACT - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Agilent PremiumCOMPACT - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Agilent PremiumCOMPACT - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Agilent PremiumCOMPACT - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Agilent PremiumCOMPACT - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Agilent PremiumCOMPACT - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Agilent PremiumCOMPACT - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Agilent PremiumCOMPACT - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Agilent PremiumCOMPACT - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Agilent PremiumCOMPACT - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_25492_2mzn.nef |
Input source #2: Coordindates | 2mzn.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
50-------60--------70--------80--------90-------100-------110-------120-------130-------140-------15 GSDEEVDSVLFGSLRGHVVGLRYYTGVVNNNEMVALQRDPNNPYDKNAIKVNNVNGNQVGHLKKELAGALAYIMDNKLAQIEGVVPFGANNAFTMPLHMT |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSDEEVDSVLFGSLRGHVVGLRYYTGVVNNNEMVALQRDPNNPYDKNAIKVNNVNGNQVGHLKKELAGALAYIMDNKLAQIEGVVPFGANNAFTMPLHMT --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 0-------160-------170- FWGKEENRKAVSDQLKKHGFKL |||||||||||||||||||||| FWGKEENRKAVSDQLKKHGFKL -------110-------120--
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 122 | 0 | 0 | 100.0 |
Content subtype: combined_25492_2mzn.nef
Assigned chemical shifts
50-------60--------70--------80--------90-------100-------110-------120-------130-------140-------15 GSDEEVDSVLFGSLRGHVVGLRYYTGVVNNNEMVALQRDPNNPYDKNAIKVNNVNGNQVGHLKKELAGALAYIMDNKLAQIEGVVPFGANNAFTMPLHMT ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .SDEEVDSVLFGSLRGHVVGLRYYTGVVNNNEMVALQRDPNNPYDKNAIKVNNVNGNQVGHLKKELAGALAYIMDNKLAQIEGVVPFGANNAFTMPLHMT 0-------160-------170- FWGKEENRKAVSDQLKKHGFKL |||||||||||||||||||||| FWGKEENRKAVSDQLKKHGFKL
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 739 | 615 | 83.2 |
13C chemical shifts | 544 | 466 | 85.7 |
15N chemical shifts | 141 | 116 | 82.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 252 | 245 | 97.2 |
13C chemical shifts | 244 | 233 | 95.5 |
15N chemical shifts | 118 | 116 | 98.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 487 | 370 | 76.0 |
13C chemical shifts | 300 | 233 | 77.7 |
15N chemical shifts | 23 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 70 | 69 | 98.6 |
13C chemical shifts | 70 | 69 | 98.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 55 | 0 | 0.0 |
13C chemical shifts | 54 | 0 | 0.0 |
15N chemical shifts | 1 | 0 | 0.0 |
Distance restraints
50-------60--------70--------80--------90-------100-------110-------120-------130-------140-------15 GSDEEVDSVLFGSLRGHVVGLRYYTGVVNNNEMVALQRDPNNPYDKNAIKVNNVNGNQVGHLKKELAGALAYIMDNKLAQIEGVVPFGANNAFTMPLHMT |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..DEEVDSVLFGSLRGHVVGLRYYTGVVNNNEMVALQRDPNNPYDKNAIKVNNVNGNQVGHLKKELAGALAYIMDNKLAQIEGVVPFGANNAFTMPLHMT 0-------160-------170- FWGKEENRKAVSDQLKKHGFKL |||||||||||||||||||||| FWGKEENRKAVSDQLKKHGFKL
50-------60--------70--------80--------90-------100-------110-------120-------130-------140-------15 GSDEEVDSVLFGSLRGHVVGLRYYTGVVNNNEMVALQRDPNNPYDKNAIKVNNVNGNQVGHLKKELAGALAYIMDNKLAQIEGVVPFGANNAFTMPLHMT | || | | | | | | | || | | |||||| || | || || |||||||| | | |||| | |||| ........V.FG.L.G.V.G..Y.....N..E.VA.Q.......D..AIKVNN..GN..G.LK..LA.ALAYIMDN.L.Q.EGVV.........M.LHMT 50-------60--------70--------80--------90-------100-------110-------120-------130-------140-------15 0-------160-------170- FWGKEENRKAVSDQLKKHGFKL |||| ||||||||||||| FWGK..NRKAVSDQLKKHG 0-------160--------
Dihedral angle restraints
50-------60--------70--------80--------90-------100-------110-------120-------130-------140-------15 GSDEEVDSVLFGSLRGHVVGLRYYTGVVNNNEMVALQRDPNNPYDKNAIKVNNVNGNQVGHLKKELAGALAYIMDNKLAQIEGVVPFGANNAFTMPLHMT |||||||||||||| ||||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSDEEVDSVLFGSL....VGLRYYTGVVNNN.MVALQRDPNNPYDKNAIKVNNVNGNQVGHLKKELAGALAYIMDNKLAQIEGVVPFGANNAFTMPLHMT 0-------160-------170- FWGKEENRKAVSDQLKKHGFKL |||||||||||||||||||||| FWGKEENRKAVSDQLKKHGFKL