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BMRB: 30177

5TBN

Solution NMR structure of PHF20 PHD domain in complex with a histone H3K4me2 peptide

Authors

Cui, G., Botuyan, M.V., Mer, G.

Assembly

PHD finger protein 20, Histone H3.1

Entity

1. PHD finger protein 20, Histone H3.1, entity 1 (polymer), 57 monomers, 6829.656 Da Detail

GHMDRYDFEV VRCICEVQEE NDFMIQCEEC QCWQHGVCMG LLEENVPEKY TCYVCQD

2. PHD finger protein 20, Histone H3.1, entity 2 (polymer), 12 monomers, 1273.465 Da Detail

ARTXQTARKS TX

3. PHD finger protein 20, Histone H3.1, entity ZN (non-polymer), 65.409 × 2 Da

Total weight

8233.938 Da

Max. entity weight

6829.656 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.1 %, Completeness: 93.9 %, Completeness (bb): 90.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	93.9 % (725 of 772)	94.5 % (381 of 403)	96.3 % (283 of 294)	81.3 % (61 of 75)
Backbone	90.2 % (361 of 400)	89.0 % (121 of 136)	94.4 % (187 of 198)	80.3 % (53 of 66)
Sidechain	98.2 % (428 of 436)	97.4 % (260 of 267)	100.0 % (160 of 160)	88.9 % (8 of 9)
Aromatic	100.0 % (64 of 64)	100.0 % (32 of 32)	100.0 % (31 of 31)	100.0 % (1 of 1)
Methyl	100.0 % (52 of 52)	100.0 % (26 of 26)	100.0 % (26 of 26)

1. entity 1

GHMDRYDFEV VRCICEVQEE NDFMIQCEEC QCWQHGVCMG LLEENVPEKY TCYVCQD

2. entity 2

ARTXQTARKS TX

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 101325 Pa, Temperature 298 K, pH 7.0 (±0.2), Details 1.5 mM [U-15N] PHF20 PHD domain, 6.0 mM H3K4me2 peptide, 25 mM sodium phosphate, 0.3 mM DSS, 1.5 mM sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	DSS	natural abundance	0.3 mM
2	H3K4me2 peptide	natural abundance	6.0 mM
3	PHF20 PHD domain	[U-15N]	1.5 mM
4	sodium azide	natural abundance	1.5 mM
5	sodium phosphate	natural abundance	25 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 101325 Pa, Temperature 298 K, pH 7.0 (±0.2), Details 1.5 mM [U-13C; U-15N] PHF20 PHD domain, 6.0 mM H3K4me2 peptide, 25 mM sodium phosphate, 0.3 mM DSS, 1.5 mM sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
6	DSS	natural abundance	0.3 mM
7	H3K4me2 peptide	natural abundance	6.0 mM
8	PHF20 PHD domain	[U-13C; U-15N]	1.5 mM
9	sodium azide	natural abundance	1.5 mM
10	sodium phosphate	natural abundance	25 mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 101325 Pa, Temperature 298 K, pH 7.0 (±0.2), Details 2 mM H3K4me2 peptide, 25 mM sodium phosphate, 0.3 mM DSS, 1.5 mM sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
11	DSS	natural abundance	0.3 mM
12	H3K4me2 peptide	natural abundance	2 mM
13	sodium azide	natural abundance	1.5 mM
14	sodium phosphate	natural abundance	25 mM

Protein Blocks Logo

Calculated from 20 models in PDB: 5TBN, Strand ID: A, C Detail

Release date

2016-10-06

Citation

PHF20 Readers Link Methylation of Histone H3K4 and p53 with H4K16 Acetylation
Klein, B.J., Wang, X., Cui, G., Yuan, C., Botuyan, M.V., Lin, K., Lu, Y., Wang, X., Zhao, Y., Bruns, C.J., Mer, G., Shi, X., Kutateladze, T.G.
Cell Rep. (2016), 17, 1158-1170, PubMed 27760318 , DOI 10.1016/j.celrep.2016.09.056 , Abstract