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BMRB: 19939

2MOE

Solution structure of MBD4 methyl-cytosine binding domain bound to methylated DNA

Authors

Williams, D.C., Walavalkar, N.M.

Assembly

MBD4 methyl-cytosine binding domain bound to methylated DNA

Entity

1. MBD4mbd (polymer, Thiol state: all free), 71 monomers, 8074.127 Da Detail

GSTECRKSVP CGWERVVKQR LFGKTAGRFD VYFISPQGLK FRSKSSLANY LHKNGETSLK PEDFDFTVLS K

2. DNAfor (polymer, Thiol state: not present), 10 monomers, 3138.002 Da Detail

GGATXGGCTC

3. DNArev (polymer, Thiol state: not present), 10 monomers, 3106.992 Da Detail

GAGCXGATCC

Total weight

14319.121 Da

Max. entity weight

8074.127 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 76.9 %, Completeness: 72.0 %, Completeness (bb): 73.6 % Detail

Polymer type: polypeptide(L) polydeoxyribonucleotide

	Total	¹H	¹³C	¹⁵N
All	72.0 % (742 of 1031)	61.0 % (381 of 625)	87.4 % (291 of 333)	95.9 % (70 of 73)
Backbone	73.6 % (402 of 546)	50.6 % (137 of 271)	96.6 % (200 of 207)	95.6 % (65 of 68)
Sidechain	72.4 % (398 of 550)	67.8 % (240 of 354)	80.1 % (153 of 191)	100.0 % (5 of 5)
Aromatic	34.4 % (44 of 128)	30.5 % (25 of 82)	40.0 % (18 of 45)	100.0 % (1 of 1)
Methyl	79.4 % (50 of 63)	75.8 % (25 of 33)	83.3 % (25 of 30)

1. MBD4mbd

GSTECRKSVP CGWERVVKQR LFGKTAGRFD VYFISPQGLK FRSKSSLANY LHKNGETSLK PEDFDFTVLS K

2. DNAfor

GGATXGGCTC

3. DNArev

GAGCXGATCC

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MBD4mbd	[U-99% 13C; U-99% 15N]	0.2 ~ 1.0 mM
2	DNAfor	natural abundance	0.2 ~ 1.0 mM
3	DNArev	natural abundance	0.2 ~ 1.0 mM
4	Na2PO4	natural abundance	10 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
5	MBD4mbd	[U-13C; U-15N; U-2H]	0.2 ~ 1.0 mM
6	DNAfor	natural abundance	0.2 ~ 1.0 mM
7	DNArev	natural abundance	0.2 ~ 1.0 mM
8	Pf1 phage	natural abundance	12 mg/mL
9	Na2PO4	natural abundance	10 mM

Chem. Shift Complete2

Sequence coverage: 22.0 %, Completeness: 43.8 %, Completeness (bb): 44.5 % Detail

Polymer type: polypeptide(L) polydeoxyribonucleotide

	Total	¹H	¹³C	¹⁵N
All	43.8 % (904 of 2062)	38.5 % (481 of 1250)	51.4 % (342 of 666)	55.5 % (81 of 146)
Backbone	44.5 % (486 of 1092)	32.7 % (177 of 542)	56.5 % (234 of 414)	55.1 % (75 of 136)
Sidechain	44.3 % (487 of 1100)	42.4 % (300 of 708)	47.4 % (181 of 382)	60.0 % (6 of 10)
Aromatic	27.0 % (69 of 256)	27.4 % (45 of 164)	25.6 % (23 of 90)	50.0 % (1 of 2)
Methyl	49.2 % (62 of 126)	48.5 % (32 of 66)	50.0 % (30 of 60)

1. MBD4mbd

GSTECRKSVP CGWERVVKQR LFGKTAGRFD VYFISPQGLK FRSKSSLANY LHKNGETSLK PEDFDFTVLS K

2. DNAfor

GGATXGGCTC

3. DNArev

GAGCXGATCC

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MBD4mbd	[U-99% 13C; U-99% 15N]	0.2 ~ 1.0 mM
2	DNAfor	natural abundance	0.2 ~ 1.0 mM
3	DNArev	natural abundance	0.2 ~ 1.0 mM
4	Na2PO4	natural abundance	10 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
5	MBD4mbd	[U-13C; U-15N; U-2H]	0.2 ~ 1.0 mM
6	DNAfor	natural abundance	0.2 ~ 1.0 mM
7	DNArev	natural abundance	0.2 ~ 1.0 mM
8	Pf1 phage	natural abundance	12 mg/mL
9	Na2PO4	natural abundance	10 mM

Chem. Shift Complete3

Sequence coverage: 18.7 %, Completeness: 33.1 %, Completeness (bb): 33.7 % Detail

Polymer type: polypeptide(L) polydeoxyribonucleotide

	Total	¹H	¹³C	¹⁵N
All	33.1 % (1024 of 3093)	29.8 % (559 of 1875)	37.4 % (374 of 999)	41.6 % (91 of 219)
Backbone	33.7 % (552 of 1638)	26.1 % (212 of 813)	41.2 % (256 of 621)	41.2 % (84 of 204)
Sidechain	33.3 % (549 of 1650)	32.3 % (343 of 1062)	34.7 % (199 of 573)	46.7 % (7 of 15)
Aromatic	20.8 % (80 of 384)	22.8 % (56 of 246)	17.0 % (23 of 135)	33.3 % (1 of 3)
Methyl	35.4 % (67 of 189)	34.3 % (34 of 99)	36.7 % (33 of 90)

1. MBD4mbd

GSTECRKSVP CGWERVVKQR LFGKTAGRFD VYFISPQGLK FRSKSSLANY LHKNGETSLK PEDFDFTVLS K

2. DNAfor

GGATXGGCTC

3. DNArev

GAGCXGATCC

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MBD4mbd	[U-99% 13C; U-99% 15N]	0.2 ~ 1.0 mM
2	DNAfor	natural abundance	0.2 ~ 1.0 mM
3	DNArev	natural abundance	0.2 ~ 1.0 mM
4	Na2PO4	natural abundance	10 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
5	MBD4mbd	[U-13C; U-15N; U-2H]	0.2 ~ 1.0 mM
6	DNAfor	natural abundance	0.2 ~ 1.0 mM
7	DNArev	natural abundance	0.2 ~ 1.0 mM
8	Pf1 phage	natural abundance	12 mg/mL
9	Na2PO4	natural abundance	10 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	water	protons	4.7 ppm	internal	direct	1.0
¹³C	water	protons	4.7 ppm	internal	indirect	0.2514495
¹⁵N	water	protons	4.7 ppm	internal	indirect	0.1013291

Referencing offset: -0.08 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	water	protons	4.7 ppm	internal	direct	1.0
¹³C	water	protons	4.7 ppm	internal	indirect	0.2514495
¹⁵N	water	protons	4.7 ppm	internal	indirect	0.1013291

Referencing offset: -0.08 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	water	protons	4.7 ppm	internal	direct	1.0
¹³C	water	protons	4.7 ppm	internal	indirect	0.2514495
¹⁵N	water	protons	4.7 ppm	internal	indirect	0.1013291

Referencing offset: -0.07 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	water	protons	4.7 ppm	internal	direct	1.0
¹³C	water	protons	4.7 ppm	internal	indirect	0.2514495
¹⁵N	water	protons	4.7 ppm	internal	indirect	0.1013291

Referencing offset: 0.21 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2014-09-04

Citation

Solution structure and intramolecular exchange of methyl-cytosine binding domain protein 4 (MBD4) on DNA suggests a mechanism to scan for mCpG/TpG mismatches
Walavalkar, N.M., Cramer, J.M., Buchwald, W.A., Scarsdale, N., Williams, D.C.
Nucleic Acids Res. (2014), 42, 11218-11232, PubMed 25183517 , DOI 10.1093/nar/gku782 , Abstract

Related entities 1. MBD4mbd, : 1 : 4 : 55 entities Detail

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MBD4mbd	[U-99% 13C; U-99% 15N]	0.2 ~ 1.0 mM
2	DNAfor	natural abundance	0.2 ~ 1.0 mM
3	DNArev	natural abundance	0.2 ~ 1.0 mM
4	Na2PO4	natural abundance	10 mM

2 3D HNCO

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MBD4mbd	[U-99% 13C; U-99% 15N]	0.2 ~ 1.0 mM
2	DNAfor	natural abundance	0.2 ~ 1.0 mM
3	DNArev	natural abundance	0.2 ~ 1.0 mM
4	Na2PO4	natural abundance	10 mM

3 3D HNCA

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MBD4mbd	[U-99% 13C; U-99% 15N]	0.2 ~ 1.0 mM
2	DNAfor	natural abundance	0.2 ~ 1.0 mM
3	DNArev	natural abundance	0.2 ~ 1.0 mM
4	Na2PO4	natural abundance	10 mM

4 3D CBCA(CO)NH

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MBD4mbd	[U-99% 13C; U-99% 15N]	0.2 ~ 1.0 mM
2	DNAfor	natural abundance	0.2 ~ 1.0 mM
3	DNArev	natural abundance	0.2 ~ 1.0 mM
4	Na2PO4	natural abundance	10 mM

5 3D HNCACB

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MBD4mbd	[U-99% 13C; U-99% 15N]	0.2 ~ 1.0 mM
2	DNAfor	natural abundance	0.2 ~ 1.0 mM
3	DNArev	natural abundance	0.2 ~ 1.0 mM
4	Na2PO4	natural abundance	10 mM

6 3D HBHA(CO)NH

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MBD4mbd	[U-99% 13C; U-99% 15N]	0.2 ~ 1.0 mM
2	DNAfor	natural abundance	0.2 ~ 1.0 mM
3	DNArev	natural abundance	0.2 ~ 1.0 mM
4	Na2PO4	natural abundance	10 mM

7 3D C(CO)NH

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MBD4mbd	[U-99% 13C; U-99% 15N]	0.2 ~ 1.0 mM
2	DNAfor	natural abundance	0.2 ~ 1.0 mM
3	DNArev	natural abundance	0.2 ~ 1.0 mM
4	Na2PO4	natural abundance	10 mM

8 3D HCCH-TOCSY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MBD4mbd	[U-99% 13C; U-99% 15N]	0.2 ~ 1.0 mM
2	DNAfor	natural abundance	0.2 ~ 1.0 mM
3	DNArev	natural abundance	0.2 ~ 1.0 mM
4	Na2PO4	natural abundance	10 mM

9 3D 1H-15N NOESY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MBD4mbd	[U-99% 13C; U-99% 15N]	0.2 ~ 1.0 mM
2	DNAfor	natural abundance	0.2 ~ 1.0 mM
3	DNArev	natural abundance	0.2 ~ 1.0 mM
4	Na2PO4	natural abundance	10 mM

10 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MBD4mbd	[U-99% 13C; U-99% 15N]	0.2 ~ 1.0 mM
2	DNAfor	natural abundance	0.2 ~ 1.0 mM
3	DNArev	natural abundance	0.2 ~ 1.0 mM
4	Na2PO4	natural abundance	10 mM

11 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MBD4mbd	[U-99% 13C; U-99% 15N]	0.2 ~ 1.0 mM
2	DNAfor	natural abundance	0.2 ~ 1.0 mM
3	DNArev	natural abundance	0.2 ~ 1.0 mM
4	Na2PO4	natural abundance	10 mM

12 3D HNCO

Instrument

Bruker Avance - 700 MHz

Sample

State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
5	MBD4mbd	[U-13C; U-15N; U-2H]	0.2 ~ 1.0 mM
6	DNAfor	natural abundance	0.2 ~ 1.0 mM
7	DNArev	natural abundance	0.2 ~ 1.0 mM
8	Pf1 phage	natural abundance	12 mg/mL
9	Na2PO4	natural abundance	10 mM

13 2D 1H-1H NOESY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	MBD4mbd	[U-99% 13C; U-99% 15N]	0.2 ~ 1.0 mM
2	DNAfor	natural abundance	0.2 ~ 1.0 mM
3	DNArev	natural abundance	0.2 ~ 1.0 mM
4	Na2PO4	natural abundance	10 mM

NMR combined restraints 6 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_19939_2moe.nef
Input source #2: Coordindates	2moe.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	True (see coodinates for details)
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)

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
2:4:DT:O3'	2:5:5CM:P	unknown	unknown	n/a
2:5:5CM:O3'	2:6:DG:P	unknown	unknown	n/a
3:4:DC:O3'	3:5:5CM:P	unknown	unknown	n/a
3:5:5CM:O3'	3:6:DG:P	unknown	unknown	n/a

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
B	205	5CM	5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE	Assigned chemical shifts, Distance restraints, Coordinates
C	215	5CM	5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE	Assigned chemical shifts, Distance restraints, Coordinates

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--80-------90-------100-------110-------120-------130-------140--------
GSTECRKSVPCGWERVVKQRLFGKTAGRFDVYFISPQGLKFRSKSSLANYLHKNGETSLKPEDFDFTVLSK
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GSTECRKSVPCGWERVVKQRLFGKTAGRFDVYFISPQGLKFRSKSSLANYLHKNGETSLKPEDFDFTVLSK
--------10--------20--------30--------40--------50--------60--------70-

Entity_assembly_ID (NMR): B vs Auth_asym_ID (model): B

-------210
GGATXGGCTC
||||||||||
GGATXGGCTC
--------10

Entity_assembly_ID (NMR): C vs Auth_asym_ID (model): C

-------220
GAGCXGATCC
||||||||||
GAGCXGATCC
--------10

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Sequence coverage (%)
A	A	71	100.0
B	B	10	100.0
C	C	10	100.0

Content subtype: combined_19939_2moe.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	4		No information
1	Assigned chemical shifts	MBD4mbd_chemshift	Warning	746		98.6 (chain: A, length: 71)
2	Assigned chemical shifts	DNAfor_chemshift	Warning	44		90.0 (chain: B, length: 10)
3	Assigned chemical shifts	DNArev_chemshift	OK	40		90.0 (chain: C, length: 10)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	1717 (1)	noe	97.2 (chain: A, length: 71), 90.0 (chain: B, length: 10), 80.0 (chain: C, length: 10)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	111 (111)	.	80.3 (chain: A, length: 71)

Assigned chemical shifts

Saveframe: MBD4mbd_chemshift
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 71, Sequence coverage: 98.6%
- Total number of assignments
  - ¹³C chemical shifts: 291
  - ¹H chemical shifts: 380
  - ¹⁵N chemical shifts: 75
- Completeness of assignments
  - Entity_assemble_ID: A
- 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: A
Saveframe: DNAfor_chemshift
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: B, Chain length: 10, Sequence coverage: 90.0%
- Total number of assignments
  - ¹H chemical shifts: 44
- Completeness of assignments
  - Entity_assemble_ID: B
- Histogram of normalized assigned chemical shifts
Saveframe: DNArev_chemshift
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: C, Chain length: 10, Sequence coverage: 90.0%
- Total number of assignments
  - ¹H chemical shifts: 40
- Completeness of assignments
  - Entity_assemble_ID: C
- Histogram of normalized assigned chemical shifts

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	333	291	87.4
¹H chemical shifts	450	380	84.4
¹⁵N chemical shifts	78	75	96.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	142	135	95.1
¹H chemical shifts	145	137	94.5
¹⁵N chemical shifts	68	65	95.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	191	156	81.7
¹H chemical shifts	305	243	79.7
¹⁵N chemical shifts	10	10	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	30	26	86.7
¹H chemical shifts	30	26	86.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	45	18	40.0
¹H chemical shifts	46	25	54.3
¹⁵N chemical shifts	1	1	100.0

Comp_index_ID	Comp_ID
205	5CM

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	87	38	43.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	63	19	30.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	24	19	79.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	2	2	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	6	4	66.7

Comp_index_ID	Comp_ID
215	5CM

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	88	35	39.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	63	19	30.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	25	16	64.0

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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	7	4	57.1

Covalent bonds

Saveframe: assembly
- Status: OK

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 71, Sequence coverage: 97.2%
  - Entity_assembly_ID: B, Chain length: 10, Sequence coverage: 90.0%
  - Entity_assembly_ID: C, Chain length: 10, Sequence coverage: 80.0%
- Total number of restraints: 1685
- Weight of restraints: 1.0 (1685)
- Potential type of restraints: square-well-parabolic (1685)
- Range of distance target values: 2.25, 4.15 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
  - Chain_ID: B
  - Chain_ID: C
- Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 71, Sequence coverage: 80.3%
- Total number of restraints: 111
- Total number of restraints per polymer type: 111
- Weight of restraints: 1.0 (111)
- Potential type of restraints: square-well-parabolic (111)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords PROTEIN/DNA, Methylated DNA

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BMRB: 19939

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. MBD4mbd, : 1 : 4 : 55 entities Detail

Experiments performed 13 experiments Detail

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NMR combined restraints 6 contents Detail