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BMRB: 15170

Backbone assignments of DNA methyltransferase M.HhaI

Authors

Zhou, H., Shatz, W., Purdy, M., Fera, N., Dahlquist, F., Reich, N.

Assembly

M.HhaI monomer

Entity

1. M.HhaI (polymer, Thiol state: all free), 331 monomers, 37525.30 Da Detail

MIEIKDKQLT GLRFIDLFAG LGGFRLALES CGAECVYSNE WDKYAQEVYE MNFGEKPEGD ITQVNEKTIP DHDILCAGFP CQAFSISGKQ KGFEDSRGTL FFDIARIVRE KKPKVVFMEN VKNFASHDNG NTLEVVKNTM NELDYSFHAK VLNALDYGIP QKRERIYMIC FRNDLNIQNF QFPKPFELNT FVKDLLLPDS EVEHLVIDRK DLVMTNQEIE QTTPKTVRLG IVGKGGQGER IYSTRGIAIT LSAYGGGIFA KTGGYLVNGK TRKLHPRECA RVMGYPDSYK VHPSTSQAYK QFGNSVVINV LQYIAYNIGS SLNLEHHHHH H

2. SAH (non-polymer), 384.411 Da

Total weight

37909.71 Da

Max. entity weight

37525.3 Da

Source organism

Escherichia coli

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 83.1 %, Completeness: 33.1 %, Completeness (bb): 55.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	33.1 % (1300 of 3931)	22.3 % (457 of 2048)	38.4 % (587 of 1529)	72.3 % (256 of 354)
Backbone	55.9 % (1097 of 1962)	44.4 % (301 of 678)	56.2 % (542 of 965)	79.6 % (254 of 319)
Sidechain	19.2 % (436 of 2272)	11.5 % (157 of 1370)	31.9 % (277 of 867)	5.7 % (2 of 35)
Aromatic	3.6 % (13 of 362)	7.2 % (13 of 181)	0.0 % (0 of 180)	0.0 % (0 of 1)
Methyl	22.7 % (79 of 348)	21.3 % (37 of 174)	24.1 % (42 of 174)

1. M.HhaI

MIEIKDKQLT GLRFIDLFAG LGGFRLALES CGAECVYSNE WDKYAQEVYE MNFGEKPEGD ITQVNEKTIP DHDILCAGFP CQAFSISGKQ KGFEDSRGTL FFDIARIVRE KKPKVVFMEN VKNFASHDNG NTLEVVKNTM NELDYSFHAK VLNALDYGIP QKRERIYMIC FRNDLNIQNF QFPKPFELNT FVKDLLLPDS EVEHLVIDRK DLVMTNQEIE QTTPKTVRLG IVGKGGQGER IYSTRGIAIT LSAYGGGIFA KTGGYLVNGK TRKLHPRECA RVMGYPDSYK VHPSTSQAYK QFGNSVVINV LQYIAYNIGS SLNLEHHHHH H

Show sample condition

Sample

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	M.HhaI	[U-13C; U-15N; U-2H]		0.3 ~ 0.6 mM
2	sodium phosphate	natural abundance		50 mM
3	DTT	natural abundance		5 mM
4	sodium chloride	natural abundance		100 mM
5	Arg	natural abundance		50 mM
6	Glu	natural abundance		50 mM
7	sodium azide	natural abundance		0.02 %
8	glycerol	natural abundance		0.75 %

LACS Plot; CA

Referencing offset: 0.72 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: 0.72 ppm, Outliers: 1 Detail

Release date

2007-06-05

Citation

Long-range structural and dynamical changes induced by cofactor binding in DNA methyltransferase M.HhaI
Zhou, H., Shatz, W., Purdy, M., Fera, N., Dahlquist, F., Reich, N.
Biochemistry (2007), 46, 7261-7268, PubMed 17523600 , DOI 10.1021/bi602662e , Abstract

Related entities 1. M.HhaI, : 87 entities Detail

Experiments performed 7 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	M.HhaI	[U-13C; U-15N; U-2H]		0.3 ~ 0.6 mM
2	sodium phosphate	natural abundance		50 mM
3	DTT	natural abundance		5 mM
4	sodium chloride	natural abundance		100 mM
5	Arg	natural abundance		50 mM
6	Glu	natural abundance		50 mM
7	sodium azide	natural abundance		0.02 %
8	glycerol	natural abundance		0.75 %

2 3D HNCA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	M.HhaI	[U-13C; U-15N; U-2H]		0.3 ~ 0.6 mM
2	sodium phosphate	natural abundance		50 mM
3	DTT	natural abundance		5 mM
4	sodium chloride	natural abundance		100 mM
5	Arg	natural abundance		50 mM
6	Glu	natural abundance		50 mM
7	sodium azide	natural abundance		0.02 %
8	glycerol	natural abundance		0.75 %

3 3D HN(CO)CA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	M.HhaI	[U-13C; U-15N; U-2H]		0.3 ~ 0.6 mM
2	sodium phosphate	natural abundance		50 mM
3	DTT	natural abundance		5 mM
4	sodium chloride	natural abundance		100 mM
5	Arg	natural abundance		50 mM
6	Glu	natural abundance		50 mM
7	sodium azide	natural abundance		0.02 %
8	glycerol	natural abundance		0.75 %

4 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	M.HhaI	[U-13C; U-15N; U-2H]		0.3 ~ 0.6 mM
2	sodium phosphate	natural abundance		50 mM
3	DTT	natural abundance		5 mM
4	sodium chloride	natural abundance		100 mM
5	Arg	natural abundance		50 mM
6	Glu	natural abundance		50 mM
7	sodium azide	natural abundance		0.02 %
8	glycerol	natural abundance		0.75 %

5 3D HN(COCA)CB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	M.HhaI	[U-13C; U-15N; U-2H]		0.3 ~ 0.6 mM
2	sodium phosphate	natural abundance		50 mM
3	DTT	natural abundance		5 mM
4	sodium chloride	natural abundance		100 mM
5	Arg	natural abundance		50 mM
6	Glu	natural abundance		50 mM
7	sodium azide	natural abundance		0.02 %
8	glycerol	natural abundance		0.75 %

6 3D HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	M.HhaI	[U-13C; U-15N; U-2H]		0.3 ~ 0.6 mM
2	sodium phosphate	natural abundance		50 mM
3	DTT	natural abundance		5 mM
4	sodium chloride	natural abundance		100 mM
5	Arg	natural abundance		50 mM
6	Glu	natural abundance		50 mM
7	sodium azide	natural abundance		0.02 %
8	glycerol	natural abundance		0.75 %

7 3D HCACO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	M.HhaI	[U-13C; U-15N; U-2H]		0.3 ~ 0.6 mM
2	sodium phosphate	natural abundance		50 mM
3	DTT	natural abundance		5 mM
4	sodium chloride	natural abundance		100 mM
5	Arg	natural abundance		50 mM
6	Glu	natural abundance		50 mM
7	sodium azide	natural abundance		0.02 %
8	glycerol	natural abundance		0.75 %

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr15170_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: bmr15170_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	967		79.8 (chain: 1, length: 331)
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: 331, Sequence coverage: 79.8%
- Total number of assignments
  - ¹³C chemical shifts: 483
  - ¹H chemical shifts: 242
  - ¹⁵N chemical shifts: 242
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Keywords DNA binding, HhaI, methyltransferase, SAH