BMRB: 11496

Solution structure of the chromodomain of Chp1 in complex with H3K9me3 peptide

Authors

Shimojo, H., Nishimura, Y.

Assembly

the chromodomain of Chp1 in complex with H3K9me3 peptide

Entity

1. Chp1 chromodomain (polymer, Thiol state: all free), 75 monomers, 8897.809 Da Detail

MVSVKPLPDI DSNEGETDAD VYEVEDILAD RVNKNGINEY YIKWAGYDWY DNTWEPEQNL FGAEKVLKKW KKRKK

2. Histone H3K9me3 (polymer, Thiol state: all free), 18 monomers, 2020.319 Da Detail

ARTKQTARXS TGGKAPRY

Total weight

10918.128 Da

Max. entity weight

8897.809 Da

Source organism

Schizosaccharomyces pombe

Exptl. method

solution NMR

Refine. method

torsion angle dynamics, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 81.7 %, Completeness: 80.4 %, Completeness (bb): 81.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	80.4 % (894 of 1112)	79.5 % (466 of 586)	81.2 % (346 of 426)	82.0 % (82 of 100)
Backbone	81.1 % (441 of 544)	80.1 % (149 of 186)	81.5 % (220 of 270)	81.8 % (72 of 88)
Sidechain	80.3 % (525 of 654)	79.3 % (317 of 400)	81.8 % (198 of 242)	83.3 % (10 of 12)
Aromatic	90.6 % (96 of 106)	90.6 % (48 of 53)	89.8 % (44 of 49)	100.0 % (4 of 4)
Methyl	85.0 % (68 of 80)	85.0 % (34 of 40)	85.0 % (34 of 40)

1. Chp1 chromodomain

MVSVKPLPDI DSNEGETDAD VYEVEDILAD RVNKNGINEY YIKWAGYDWY DNTWEPEQNL FGAEKVLKKW KKRKK

2. Histone H3K9me3

ARTKQTARXS TGGKAPRY

Show sample condition

Sample

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

#	Name	Isotope labeling	Type	Concentration
1	Chp1_chromodomain	[U-99% 13C; U-99% 15N]	protein	0.3 ~ 0.5 mM
2	Histone_H3K9me3	natural abundance	protein	0.3 ~ 0.5 mM
3	potassium phosphate	natural abundance		20 mM
4	sodium chloride	natural abundance		10 mM
5	H2O		solvent	90 %
6	D2O		solvent	10 %

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Chem. Shift Complete2

Sequence coverage: 24.7 %, Completeness: 47.2 %, Completeness (bb): 47.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	47.2 % (1049 of 2224)	49.0 % (574 of 1172)	44.8 % (382 of 852)	46.5 % (93 of 200)
Backbone	47.0 % (511 of 1088)	49.5 % (184 of 372)	45.4 % (245 of 540)	46.6 % (82 of 176)
Sidechain	47.3 % (619 of 1308)	48.8 % (390 of 800)	45.0 % (218 of 484)	45.8 % (11 of 24)
Aromatic	52.8 % (112 of 212)	54.7 % (58 of 106)	50.0 % (49 of 98)	62.5 % (5 of 8)
Methyl	50.6 % (81 of 160)	55.0 % (44 of 80)	46.3 % (37 of 80)

1. Chp1 chromodomain

MVSVKPLPDI DSNEGETDAD VYEVEDILAD RVNKNGINEY YIKWAGYDWY DNTWEPEQNL FGAEKVLKKW KKRKK

2. Histone H3K9me3

ARTKQTARXS TGGKAPRY

Show sample condition

Sample

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

#	Name	Isotope labeling	Type	Concentration
1	Chp1_chromodomain	[U-99% 13C; U-99% 15N]	protein	0.3 ~ 0.5 mM
2	Histone_H3K9me3	natural abundance	protein	0.3 ~ 0.5 mM
3	potassium phosphate	natural abundance		20 mM
4	sodium chloride	natural abundance		10 mM
5	H2O		solvent	90 %
6	D2O		solvent	10 %

Hide sample codition

Protein Blocks Logo

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

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Release date

2012-08-26

Citation

Intrinsic nucleic acid-binding activity of Chp1 chromodomain is required for heterochromatic gene silencing
Ishida, M., Shimojo, H., Hayashi, A., Kawaguchi, R., Ohtani, Y., Uegaki, K., Nishimura, Y., Nakayama, J.
Mol. Cell (2012), 47, 228-241, PubMed 22727667 , DOI 10.1016/j.molcel.2012.05.017 , Abstract

Related entities 1. Chp1 chromodomain, : 1 : 2 : 1 : 16 entities Detail

Related entities 2. Histone H3K9me3, : 107 : 35 entities Detail

Interaction partners 1. Chp1 chromodomain, : 6 interactors Detail

Interaction partners 2. Histone H3K9me3, : 1 interactors Detail

Experiments performed 18 experiments Detail