BMRBj - BMREntryMaster

Found 1 Document (2.131 seconds)

BMRB: 4280

1QK9

Sequence Specific 1H, 13C and 15N Assignment of the Methyl Binding Domain of the Methyl-CpG-binding Protein MeCP2.

Authors

Wakefield, R.I., Smith, B.O., Nan, X., Free, A., Soteriou, A., Uhrin, D., Bird, A.P., Barlow, P.N.

Assembly

Methyl binding domain of MeCP2

Entity

1. Methyl binding domain of MeCP2 (polymer), 92 monomers, 10244.39 Da Detail

ASASPKQRRS IIRDRGPMYD DPTLPEGWTR KLKQRKSGRS AGKYDVYLIN PQGKAFRSKV ELIAYFEKVG DTSLDPNDFD FTVTGRGSGS GC

Formula weight

10244.39 Da

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 87.3 %, Completeness (bb): 83.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.3 % (928 of 1063)	95.6 % (537 of 562)	73.3 % (300 of 409)	98.9 % (91 of 92)
Backbone	83.9 % (453 of 540)	98.4 % (185 of 188)	68.4 % (182 of 266)	100.0 % (86 of 86)
Sidechain	91.9 % (556 of 605)	94.1 % (352 of 374)	88.4 % (199 of 225)	83.3 % (5 of 6)
Aromatic	75.0 % (63 of 84)	100.0 % (42 of 42)	48.8 % (20 of 41)	100.0 % (1 of 1)
Methyl	95.8 % (69 of 72)	94.4 % (34 of 36)	97.2 % (35 of 36)

1. Methyl binding domain of MeCP2

ASASPKQRRS IIRDRGPMYD DPTLPEGWTR KLKQRKSGRS AGKYDVYLIN PQGKAFRSKV ELIAYFEKVG DTSLDPNDFD FTVTGRGSGS GC

Show sample condition

Sample

Temperature 291 K, pH 6.0

#	Name	Isotope labeling	Concentration
1	Methyl binding domain of MeCP2	[U-15N; U-13C]	1.0 mM
2	H2O		90 %
3	D2O		10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	H2O	protons	0.0 ppm	internal	indirect	0.2514495
¹H	H2O	protons	4.78 ppm	internal	direct	0.0
¹⁵N	H2O	protons	0.0 ppm	internal	indirect	0.101329

Referencing offset: -0.13 ppm, Outliers: 3 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	H2O	protons	0.0 ppm	internal	indirect	0.2514495
¹H	H2O	protons	4.78 ppm	internal	direct	0.0
¹⁵N	H2O	protons	0.0 ppm	internal	indirect	0.101329

Referencing offset: -0.13 ppm, Outliers: 3 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	H2O	protons	0.0 ppm	internal	indirect	0.2514495
¹H	H2O	protons	4.78 ppm	internal	direct	0.0
¹⁵N	H2O	protons	0.0 ppm	internal	indirect	0.101329

Referencing offset: 0.04 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 28 models in PDB: 1QK9, Strand ID: A Detail

Release date

1999-10-05

Citation

The solution structure of the domain from MeCP2 that binds to methylated DNA
Wakefield, R.I., Smith, B.O., Nan, X., Free, A., Soteriou, A., Uhrin, D., Bird, A.P., Barlow, P.N.
J. Mol. Biol. (1999), 291, 1055-1065, PubMed 10518942 , DOI 10.1006/jmbi.1999.3023 , Abstract

Entries sharing articles BMRB: 1, Swiss-Prot: 1 entries Detail

  BMRB: 4467 released on 2000-12-14
    Title Sequence-specific 1H, 13C, and 15N Assignments of the MAR-binding Domain of Chicken MeCP2/ARBP
  Swiss-Prot: P51608 released on 1996-10-01
    Title MECP2_HUMAN Entity Methyl-CpG-binding protein 2

Related entities 1. Methyl binding domain of MeCP2, : 1 : 14 : 9 entities Detail

Interaction partners 1. Methyl binding domain of MeCP2, : 34 interactors Detail

More details for 34 interactors identified by 11 citations

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4280_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: bmr4280_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_	Warning	1000		100.0 (chain: 1, length: 92)
1	Chemical shift references	chemical_shift_reference_one	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 92, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 618
  - ¹³C chemical shifts: 291
  - ¹⁵N chemical shifts: 91
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- 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	562	544	96.8
¹³C chemical shifts	409	291	71.1
¹⁵N chemical shifts	101	91	90.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	188	187	99.5
¹³C chemical shifts	184	92	50.0
¹⁵N chemical shifts	86	86	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	374	357	95.5
¹³C chemical shifts	225	199	88.4
¹⁵N chemical shifts	15	5	33.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	37	37	100.0
¹³C chemical shifts	37	36	97.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	42	42	100.0
¹³C chemical shifts	41	20	48.8
¹⁵N chemical shifts	1	1	100.0

Keywords MBD, mCpG islands, MeCP2, Methylated DNA, Methyl binding domain, NMR assignments

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Found 1 Document (2.131 seconds)

BMRB: 4280

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles BMRB: 1, Swiss-Prot: 1 entries Detail

Related entities 1. Methyl binding domain of MeCP2, : 1 : 14 : 9 entities Detail

Interaction partners 1. Methyl binding domain of MeCP2, : 34 interactors Detail

Chemical shift validation 3 contents Detail