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BMRB: 18124

2MA1

Solution Structure of D. radiodurans RecQ HRDC domain 1

Authors

Cao, C., Dong, Y., Liu, S.

Assembly

D. radiodurans RecQ

Entity

1. D. radiodurans RecQ (polymer, Thiol state: not present), 75 monomers, 8042.041 Da Detail

HDAPLFEALR AWRLQKAKEL SLPPYTIFHD ATLKTIAELR PGSHATLGTV SGVGGRKLAA YGDEVLQVVR DSSGG

Formula weight

8042.041 Da

Source organism

Deinococcus radiodurans

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 91.1 %, Completeness (bb): 95.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.1 % (763 of 838)	94.2 % (406 of 431)	85.9 % (286 of 333)	95.9 % (71 of 74)
Backbone	95.5 % (422 of 442)	95.5 % (147 of 154)	94.5 % (205 of 217)	98.6 % (70 of 71)
Sidechain	87.9 % (407 of 463)	93.5 % (259 of 277)	80.3 % (147 of 183)	33.3 % (1 of 3)
Aromatic	80.0 % (48 of 60)	83.3 % (25 of 30)	79.3 % (23 of 29)	0.0 % (0 of 1)
Methyl	91.7 % (88 of 96)	97.9 % (47 of 48)	85.4 % (41 of 48)

1. D. radiodurans RecQ

HDAPLFEALR AWRLQKAKEL SLPPYTIFHD ATLKTIAELR PGSHATLGTV SGVGGRKLAA YGDEVLQVVR DSSGG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 760 mmHg, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	D._radiodurans_RecQ	[U-100% 13C; U-100% 15N]		2 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

Release date

2014-04-22

Citation

NMR structure of the N-terminal-most HRDC1 domain of RecQ helicase from Deinococcus radiodurans
Liu, S., Zhang, W., Gao, Z., Ming, Q., Hou, H., Lan, W., Wu, H., Cao, C., Dong, Y.
FEBS Lett. (2013), 587, 2635-2642, PubMed 23831579 , DOI 10.1016/j.febslet.2013.06.048 , Abstract

Related entities 1. D. radiodurans RecQ, : 1 : 40 entities Detail

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 760 mmHg, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	D._radiodurans_RecQ	[U-100% 13C; U-100% 15N]		2 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

2 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 760 mmHg, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	D._radiodurans_RecQ	[U-100% 13C; U-100% 15N]		2 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

3 3D HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 760 mmHg, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	D._radiodurans_RecQ	[U-100% 13C; U-100% 15N]		2 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

4 3D HNCA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 760 mmHg, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	D._radiodurans_RecQ	[U-100% 13C; U-100% 15N]		2 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

5 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 760 mmHg, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	D._radiodurans_RecQ	[U-100% 13C; U-100% 15N]		2 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

6 3D HCCH-TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 760 mmHg, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	D._radiodurans_RecQ	[U-100% 13C; U-100% 15N]		2 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

7 3D 1H-13C NOESY aliphatic

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 760 mmHg, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	D._radiodurans_RecQ	[U-100% 13C; U-100% 15N]		2 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

8 3D 1H-13C NOESY aromatic

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 760 mmHg, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	D._radiodurans_RecQ	[U-100% 13C; U-100% 15N]		2 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

9 3D 1H-15N NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 760 mmHg, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	D._radiodurans_RecQ	[U-100% 13C; U-100% 15N]		2 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr18124_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: bmr18124_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	872		100.0 (chain: 1, length: 75)
1	Chemical shift references	chemical_shift_reference_1	OK	4		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 75, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 514
  - ¹³C chemical shifts: 287
  - ¹⁵N chemical shifts: 71
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- Tautomeric state of HIS
- 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 PROTEIN