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Found 1 Document (2.578 seconds)

BMRB: 11605

2RVM

Solution structure of the chromodomain of HP1alpha with the phosphorylated N-terminal tail

Authors

Kawaguchi, A., Nishimura, Y.

Assembly

Chromodomain of HP1alpha with the phosphorylated N-terminal tail

Entity

1. Chromodomain of HP1alpha with the phosphorylated N-terminal tail (polymer, Thiol state: all free), 83 monomers, 10149.89 Da Detail

GSHMGKKTKR TADXXXXEDE EEYVVEKVLD RRMVKGQVEY LLKWKGFSEE HNTWEPEKNL DCPELISEFM KKYKKMKEGE NNK

Formula weight

10149.89 Da

Source organism

Mus musculus

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.0 %, Completeness: 94.8 %, Completeness (bb): 96.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	94.8 % (938 of 989)	93.2 % (492 of 528)	96.5 % (361 of 374)	97.7 % (85 of 87)
Backbone	96.6 % (454 of 470)	94.4 % (152 of 161)	97.8 % (227 of 232)	97.4 % (75 of 77)
Sidechain	94.3 % (559 of 593)	92.9 % (341 of 367)	96.3 % (208 of 216)	100.0 % (10 of 10)
Aromatic	89.5 % (68 of 76)	89.5 % (34 of 38)	88.9 % (32 of 36)	100.0 % (2 of 2)
Methyl	100.0 % (52 of 52)	100.0 % (26 of 26)	100.0 % (26 of 26)

1. entity

GSHMGKKTKR TADXXXXEDE EEYVVEKVLD RRMVKGQVEY LLKWKGFSEE HNTWEPEKNL DCPELISEFM KKYKKMKEGE NNK

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	HP1alpha	[U-99% 13C; U-99% 15N]	protein	0.0 ~ 0.0 mM
2	potassium phosphate	natural abundance	buffer	20 mM
3	sodium chloride	natural abundance	salt	10 mM
4	DTT	natural abundance		5 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
7	HP1alpha	[U-99% 13C; U-99% 15N]	protein	0.0 ~ 0.0 mM
8	potassium phosphate	natural abundance	buffer	20 mM
9	sodium chloride	natural abundance	salt	10 mM
10	DTT	natural abundance		5 mM
11	D2O	[U-2H]	solvent	100 %

Release date

2015-12-20

Citation

Extended string-like binding of the phosphorylated HP1α N-terminal tail to the lysine 9-methylated histone H3 tail
Shimojo, H., Kawaguchi, A., Oda, T., Hashiguchi, N., Omori, S., Moritsugu, K., Kidera, A., Hiragami-Hamada, K., Nakayama, J., Sato, M., Nishimura, Y.
Sci. Rep. (2016), 6, 22527-22527, PubMed 26934956 , DOI 10.1038/srep22527 , Abstract

Entries sharing articles BMRB: 2 entries Detail

  BMRB: 11604 released on 2015-12-20
    Title Solution structure of the chromodomain of HP1alpha with the N-terminal tail
  BMRB: 11606 released on 2015-12-20
    Title Solution structure of the chromodomain of HP1a with the phosphorylated N-terminal tail complexed with H3K9me3 peptide

Related entities 1. Chromodomain of HP1alpha with the phosphorylated N-terminal tail, : 1 : 1 : 4 : 26 entities Detail

Interaction partners 1. Chromodomain of HP1alpha with the phosphorylated N-terminal tail, : 15 interactors Detail

More details for 15 interactors identified by 9 citations

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	HP1alpha	[U-99% 13C; U-99% 15N]	protein	0.0 ~ 0.0 mM
2	potassium phosphate	natural abundance	buffer	20 mM
3	sodium chloride	natural abundance	salt	10 mM
4	DTT	natural abundance		5 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
7	HP1alpha	[U-99% 13C; U-99% 15N]	protein	0.0 ~ 0.0 mM
8	potassium phosphate	natural abundance	buffer	20 mM
9	sodium chloride	natural abundance	salt	10 mM
10	DTT	natural abundance		5 mM
11	D2O	[U-2H]	solvent	100 %

3 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
7	HP1alpha	[U-99% 13C; U-99% 15N]	protein	0.0 ~ 0.0 mM
8	potassium phosphate	natural abundance	buffer	20 mM
9	sodium chloride	natural abundance	salt	10 mM
10	DTT	natural abundance		5 mM
11	D2O	[U-2H]	solvent	100 %

4 3D HNCO

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	HP1alpha	[U-99% 13C; U-99% 15N]	protein	0.0 ~ 0.0 mM
2	potassium phosphate	natural abundance	buffer	20 mM
3	sodium chloride	natural abundance	salt	10 mM
4	DTT	natural abundance		5 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

5 3D HNCA

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	HP1alpha	[U-99% 13C; U-99% 15N]	protein	0.0 ~ 0.0 mM
2	potassium phosphate	natural abundance	buffer	20 mM
3	sodium chloride	natural abundance	salt	10 mM
4	DTT	natural abundance		5 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

6 3D HNCACB

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	HP1alpha	[U-99% 13C; U-99% 15N]	protein	0.0 ~ 0.0 mM
2	potassium phosphate	natural abundance	buffer	20 mM
3	sodium chloride	natural abundance	salt	10 mM
4	DTT	natural abundance		5 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

7 3D CBCA(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	HP1alpha	[U-99% 13C; U-99% 15N]	protein	0.0 ~ 0.0 mM
2	potassium phosphate	natural abundance	buffer	20 mM
3	sodium chloride	natural abundance	salt	10 mM
4	DTT	natural abundance		5 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

8 3D HN(CO)CA

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	HP1alpha	[U-99% 13C; U-99% 15N]	protein	0.0 ~ 0.0 mM
2	potassium phosphate	natural abundance	buffer	20 mM
3	sodium chloride	natural abundance	salt	10 mM
4	DTT	natural abundance		5 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

9 3D HBHA(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	HP1alpha	[U-99% 13C; U-99% 15N]	protein	0.0 ~ 0.0 mM
2	potassium phosphate	natural abundance	buffer	20 mM
3	sodium chloride	natural abundance	salt	10 mM
4	DTT	natural abundance		5 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

10 3D C(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	HP1alpha	[U-99% 13C; U-99% 15N]	protein	0.0 ~ 0.0 mM
2	potassium phosphate	natural abundance	buffer	20 mM
3	sodium chloride	natural abundance	salt	10 mM
4	DTT	natural abundance		5 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

11 3D H(CCO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	HP1alpha	[U-99% 13C; U-99% 15N]	protein	0.0 ~ 0.0 mM
2	potassium phosphate	natural abundance	buffer	20 mM
3	sodium chloride	natural abundance	salt	10 mM
4	DTT	natural abundance		5 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

12 3D HCCH-TOCSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
7	HP1alpha	[U-99% 13C; U-99% 15N]	protein	0.0 ~ 0.0 mM
8	potassium phosphate	natural abundance	buffer	20 mM
9	sodium chloride	natural abundance	salt	10 mM
10	DTT	natural abundance		5 mM
11	D2O	[U-2H]	solvent	100 %

13 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	HP1alpha	[U-99% 13C; U-99% 15N]	protein	0.0 ~ 0.0 mM
2	potassium phosphate	natural abundance	buffer	20 mM
3	sodium chloride	natural abundance	salt	10 mM
4	DTT	natural abundance		5 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

14 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
7	HP1alpha	[U-99% 13C; U-99% 15N]	protein	0.0 ~ 0.0 mM
8	potassium phosphate	natural abundance	buffer	20 mM
9	sodium chloride	natural abundance	salt	10 mM
10	DTT	natural abundance		5 mM
11	D2O	[U-2H]	solvent	100 %

15 3D 1H-13C NOESY aromatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
7	HP1alpha	[U-99% 13C; U-99% 15N]	protein	0.0 ~ 0.0 mM
8	potassium phosphate	natural abundance	buffer	20 mM
9	sodium chloride	natural abundance	salt	10 mM
10	DTT	natural abundance		5 mM
11	D2O	[U-2H]	solvent	100 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr11605_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

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
1	14	SEP	PHOSPHOSERINE	Assigned chemical shifts
1	15	SEP	PHOSPHOSERINE	Assigned chemical shifts
1	16	SEP	PHOSPHOSERINE	Assigned chemical shifts
1	17	SEP	PHOSPHOSERINE	Assigned chemical shifts

Content subtype: bmr11605_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1032		97.6 (chain: 1, length: 83)
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: 83, Sequence coverage: 97.6%
- Total number of assignments
  - ¹H chemical shifts: 570
  - ¹³C chemical shifts: 374
  - ¹⁵N chemical shifts: 88
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
10	ARG	CZ	159.454
17	SEP	C	173.881
31	ARG	CZ	158.868
32	ARG	CZ	158.199
37	GLN	CD	180.62
44	TRP	CE2	139.16
52	ASN	CG	174.274
54	TRP	CE2	139.051
59	ASN	CG	176.667

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	544	510	93.8
¹³C chemical shifts	382	365	95.5
¹⁵N chemical shifts	91	88	96.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	169	161	95.3
¹³C chemical shifts	162	154	95.1
¹⁵N chemical shifts	81	78	96.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	375	349	93.1
¹³C chemical shifts	220	211	95.9
¹⁵N chemical shifts	10	10	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	30	30	100.0
¹³C chemical shifts	30	30	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	38	34	89.5
¹³C chemical shifts	36	32	88.9
¹⁵N chemical shifts	2	2	100.0

Keywords chromodomain, hp1alpha

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Found 1 Document (2.578 seconds)

BMRB: 11605

Sample #1

Sample #2

Entries sharing articles BMRB: 2 entries Detail

Related entities 1. Chromodomain of HP1alpha with the phosphorylated N-terminal tail, : 1 : 1 : 4 : 26 entities Detail

Interaction partners 1. Chromodomain of HP1alpha with the phosphorylated N-terminal tail, : 15 interactors Detail

Experiments performed 15 experiments Detail

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Chemical shift validation 3 contents Detail