BMRBj - BMREntryMaster

Found 1 Document (2.433 seconds)

BMRB: 11604

2RVL

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

Authors

Kawaguchi, A., Nishimura, Y.

Assembly

Chromodomain of HP1alpha with the N-terminal tail

Entity

1. Chromodomain of HP1alpha with the N-terminal tail (polymer, Thiol state: all free), 83 monomers, 9829.972 Da Detail

GSHMGKKTKR TADSSSSEDE EEYVVEKVLD RRMVKGQVEY LLKWKGFSEE HNTWEPEKNL DCPELISEFM KKYKKMKEGE NNK

Formula weight

9829.972 Da

Source organism

Mus musculus

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.6 %, Completeness: 91.2 %, Completeness (bb): 95.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.2 % (931 of 1021)	89.9 % (489 of 544)	91.7 % (354 of 386)	96.7 % (88 of 91)
Backbone	95.7 % (473 of 494)	94.1 % (159 of 169)	96.7 % (236 of 244)	96.3 % (78 of 81)
Sidechain	88.3 % (534 of 605)	88.0 % (330 of 375)	88.2 % (194 of 220)	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 TADSSSSEDE 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

Related entities 1. Chromodomain of HP1alpha with the N-terminal tail, : 1 : 5 : 41 entities Detail

Interaction partners 1. Chromodomain of HP1alpha with the 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	bmr11604_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: bmr11604_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1019		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: 563
  - ¹³C chemical shifts: 368
  - 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	159.309
31	ARG	CZ	158.87
32	ARG	CZ	158.151
44	TRP	CE2	139.173
52	ASN	CG	174.299
54	TRP	CE2	139.064
59	ASN	CG	176.636
81	ASN	CG	177.166
82	ASN	CG	177.267

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	544	505	92.8
¹³C chemical shifts	386	359	93.0
¹⁵N chemical shifts	91	88	96.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	169	163	96.4
¹³C chemical shifts	166	162	97.6
¹⁵N chemical shifts	81	78	96.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	375	342	91.2
¹³C chemical shifts	220	197	89.5
¹⁵N chemical shifts	10	10	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	30	29	96.7
¹³C chemical shifts	30	29	96.7

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 (2.433 seconds)

BMRB: 11604

Sample #1

Sample #2

Related entities 1. Chromodomain of HP1alpha with the N-terminal tail, : 1 : 5 : 41 entities Detail

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

Experiments performed 15 experiments Detail

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Chemical shift validation 3 contents Detail