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BMRB: 17085

5K5F

NMR structure of the HLTF HIRAN domain

Authors

Bezsonova, I., Neculai, D., Weigelt, J., Bountra, C., Edwards, A.M., Arrowsmith, C.H., Dhe-Paganon, S.

Assembly

HLTF HIRAN domain

Entity

1. HLTF HIRAN domain (polymer, Thiol state: not present), 122 monomers, 13514.17 Da Detail

GSDEEVDSVL FGSLRGHVVG LRYYTGVVNN NEMVALQRDP NNPYDKNAIK VNNVNGNQVG HLKKELAGAL AYIMDNKLAQ IEGVVPFGAN NAFTMPLHMT FWGKEENRKA VSDQLKKHGF KL

Formula weight

13514.17 Da

Source organism

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.4 %, Completeness: 84.6 %, Completeness (bb): 91.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	84.6 % (1202 of 1420)	84.6 % (625 of 739)	84.4 % (459 of 544)	86.1 % (118 of 137)
Backbone	91.6 % (663 of 724)	92.1 % (232 of 252)	92.1 % (326 of 354)	89.0 % (105 of 118)
Sidechain	79.5 % (641 of 806)	80.7 % (393 of 487)	78.3 % (235 of 300)	68.4 % (13 of 19)
Aromatic	30.0 % (33 of 110)	34.5 % (19 of 55)	24.1 % (13 of 54)	100.0 % (1 of 1)
Methyl	93.9 % (124 of 132)	93.9 % (62 of 66)	93.9 % (62 of 66)

1. HLTF

GSDEEVDSVL FGSLRGHVVG LRYYTGVVNN NEMVALQRDP NNPYDKNAIK VNNVNGNQVG HLKKELAGAL AYIMDNKLAQ IEGVVPFGAN NAFTMPLHMT FWGKEENRKA VSDQLKKHGF KL

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	HLTF HIRAN domain	[U-100% 13C; U-100% 15N]		1-1.6 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		100 mM
4	D2O	natural abundance		10 %
5	H2O	natural abundance		90 %

LACS Plot; CA

Referencing offset: -1.14 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: -1.14 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: 0.3 ppm, Outliers: 1 Detail

LACS Plot; CO

Referencing offset: -1.02 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2L1I, Strand ID: A Detail

Release date

2012-05-13

Citation

Solution NMR structure of the HLTF HIRAN domain: a conserved module in SWI2/SNF2 DNA damage tolerance proteins
Neculai, D., Bezsonova, I., Weigelt, J., Bountra, C., Edwards, A., Arrowsmith, C., Dhe-Paganon, S.
J. Biomol. NMR (2016), 66, 209-219, PubMed 27771863 , DOI 10.1007/s10858-016-0070-9 , Abstract

Entries sharing articles BMRB: 2 entries Detail

  BMRB: 30098 released on 2016-06-05
    Title NMR structure of the HLTF HIRAN domain
  BMRB: 18458 released on 2012-06-11
    Title 1H, 13C, 15N Chemical shift assignment of HIRAN domain of human HLTF

Related entities 1. HLTF HIRAN domain, : 1 : 1 : 6 : 11 entities Detail

Interaction partners 1. HLTF HIRAN domain, : 30 interactors Detail

More details for 30 interactors identified by 14 citations

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	HLTF HIRAN domain	[U-100% 13C; U-100% 15N]		1-1.6 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		100 mM
4	D2O	natural abundance		10 %
5	H2O	natural abundance		90 %

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	HLTF HIRAN domain	[U-100% 13C; U-100% 15N]		1-1.6 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		100 mM
4	D2O	natural abundance		10 %
5	H2O	natural abundance		90 %

3 3D CBCA(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	HLTF HIRAN domain	[U-100% 13C; U-100% 15N]		1-1.6 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		100 mM
4	D2O	natural abundance		10 %
5	H2O	natural abundance		90 %

4 3D HBHA(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	HLTF HIRAN domain	[U-100% 13C; U-100% 15N]		1-1.6 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		100 mM
4	D2O	natural abundance		10 %
5	H2O	natural abundance		90 %

5 3D HNCA

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	HLTF HIRAN domain	[U-100% 13C; U-100% 15N]		1-1.6 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		100 mM
4	D2O	natural abundance		10 %
5	H2O	natural abundance		90 %

6 3D HNCO

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	HLTF HIRAN domain	[U-100% 13C; U-100% 15N]		1-1.6 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		100 mM
4	D2O	natural abundance		10 %
5	H2O	natural abundance		90 %

7 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	HLTF HIRAN domain	[U-100% 13C; U-100% 15N]		1-1.6 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		100 mM
4	D2O	natural abundance		10 %
5	H2O	natural abundance		90 %

8 3D 1H-13C NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	HLTF HIRAN domain	[U-100% 13C; U-100% 15N]		1-1.6 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		100 mM
4	D2O	natural abundance		10 %
5	H2O	natural abundance		90 %

9 3D HCCH-TOCSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	HLTF HIRAN domain	[U-100% 13C; U-100% 15N]		1-1.6 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		100 mM
4	D2O	natural abundance		10 %
5	H2O	natural abundance		90 %

10 3D CC-TOCSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	HLTF HIRAN domain	[U-100% 13C; U-100% 15N]		1-1.6 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		100 mM
4	D2O	natural abundance		10 %
5	H2O	natural abundance		90 %

11 3D aro-NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	HLTF HIRAN domain	[U-100% 13C; U-100% 15N]		1-1.6 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		100 mM
4	D2O	natural abundance		10 %
5	H2O	natural abundance		90 %

12 3D aro-TOCSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	HLTF HIRAN domain	[U-100% 13C; U-100% 15N]		1-1.6 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		100 mM
4	D2O	natural abundance		10 %
5	H2O	natural abundance		90 %

13 2D aro-HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	HLTF HIRAN domain	[U-100% 13C; U-100% 15N]		1-1.6 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		100 mM
4	D2O	natural abundance		10 %
5	H2O	natural abundance		90 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr17085_3.str
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

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr17085_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1319		98.4 (chain: 1, length: 122)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 122, Sequence coverage: 98.4%
- Total number of assignments
  - ¹H chemical shifts: 750
  - ¹³C chemical shifts: 453
  - ¹⁵N chemical shifts: 116
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Keywords DNA repair, HIRAN domain, HLTF, transcription factor, transcription regulation