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Found 1 Document (0.618 seconds)

BMRB: 36186

5ZUX

Solution Structure of the DNA complex of the C-terminal Domain of Rok

Authors

Xia, B., Duan, B.

Assembly

Rok/DNA Complex

Entity

1. Rok/DNA Complex, entity 1 (polymer, Thiol state: not present), 92 monomers, 10613.06 Da Detail

GTTRRRRGTA RPGSKAAKLR EAAIKTLKRH NAAIKSSELQ KEIEKESGLE IPNMTTFMQS LIKMYPEVKK PYRGQYILEG EIESLEHHHH HH

2. Rok/DNA Complex, entity 2 (polymer, Thiol state: not present), 18 monomers, 5576.586 × 2 Da Detail

CTAATAACTA GTTATTAG

Total weight

21766.23 Da

Max. entity weight

10613.06 Da

Source organism

Bacillus subtilis subsp. subtilis str. 168 , Bacillus subtilis

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 97.3 %, Completeness: 82.6 %, Completeness (bb): 87.5 % Detail

Polymer type: polypeptide(L) polydeoxyribonucleotide

	Total	¹H	¹³C	¹⁵N
All	82.6 % (1063 of 1287)	83.2 % (633 of 761)	81.2 % (345 of 425)	84.2 % (85 of 101)
Backbone	87.5 % (586 of 670)	91.3 % (285 of 312)	81.9 % (221 of 270)	90.9 % (80 of 88)
Sidechain	78.8 % (554 of 703)	77.5 % (348 of 449)	83.4 % (201 of 241)	38.5 % (5 of 13)
Aromatic	41.8 % (41 of 98)	55.2 % (37 of 67)	12.9 % (4 of 31)
Methyl	98.9 % (92 of 93)	98.0 % (49 of 50)	100.0 % (43 of 43)

1. entity 1

GTTRRRRGTA RPGSKAAKLR EAAIKTLKRH NAAIKSSELQ KEIEKESGLE IPNMTTFMQS LIKMYPEVKK PYRGQYILEG EIESLEHHHH HH

2. entity 2

CTAATAACTA GTTATTAG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.5 mM [U-99% 13C; U-99% 15N] Rok, 2.5 mM 1H_12C_14N Seq1, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Rok	[U-99% 13C; U-99% 15N]	protein	0.5 mM
2	Seq1	[U-13C;U-15N]	DNA	2.5 mM
3	H2O	natural abundance	solvent	90 %
4	D2O	[U-2H]	solvent	10 %

Protein Blocks Logo

Calculated from 20 models in PDB: 5ZUX, Strand ID: A Detail

Release date

2018-12-17

Citation

How bacterial xenogeneic silencer rok distinguishes foreign from self DNA in its resident genome
Duan, B., Ding, P., Hughes, T.R., Navarre, W.W., Liu, J., Xia, B.
Nucleic Acids Res. (2018), 46, 10514-10529, PubMed 30252102 , DOI 10.1093/nar/gky836 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 36187 released on 2018-12-17
Title Solution Structure of the DNA-Binding Domain of Rok

Related entities 1. Rok/DNA Complex, entity 1, : 1 : 4 entities Detail

Experiments performed 4 experiments Detail

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr36186_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	OK

Disulfide bonds

None

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

None

Non-standard residues

None

Content subtype: bmr36186_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	OK	1409		95.7 (chain: 1, length: 92), 100.0 (chain: 2, length: 18)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 92, Sequence coverage: 95.7%
  - Entity_assembly_ID: 2, Chain length: 18, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 971
  - ¹³C chemical shifts: 355
  - ¹⁵N chemical shifts: 83
- Completeness of assignments
  - Entity_assemble_ID: 1
  - Entity_assemble_ID: 2
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	588	537	91.3
¹³C chemical shifts	425	355	83.5
¹⁵N chemical shifts	101	83	82.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	186	176	94.6
¹³C chemical shifts	184	150	81.5
¹⁵N chemical shifts	88	78	88.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	402	361	89.8
¹³C chemical shifts	241	205	85.1
¹⁵N chemical shifts	13	5	38.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	46	46	100.0
¹³C chemical shifts	46	46	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	31	12	38.7
¹³C chemical shifts	31	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	173	157	90.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	126	125	99.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	47	32	68.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	7	7	100.0
¹³C chemical shifts	7	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	16	15	93.8

Keywords DNA BINDING PROTEIN-DNA complex, winged helix, xenogeneic silencer

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Found 1 Document (0.618 seconds)

BMRB: 36186

Sample

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. Rok/DNA Complex, entity 1, : 1 : 4 entities Detail

Experiments performed 4 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 4 contents Detail