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BMRB: 27251

6QXZ

Backbone and sidechain 1H, 13C, and 15N Chemical Shift Assignments for CW domain of Histone-lysine N-methyltransferase ASHH2 bound to H3K4me1

Authors

Dobrovolska, O., Halskau, O., Stromland, O., Aasland, R., Brilkov, M., Odegar, O.

Assembly

CW42 bound to H3K4me1

Entity

1. CW42 (polymer, Thiol state: free and other bound), 79 monomers, 8881.595 Da Detail

GSRRASVGSE FTESAWVRCD DCFKWRRIPA SVVGSIDESS RWICMNNSDK RFADCSKSQE MSNEEINEEL GIGQDEADA

2. CW42 bound to H3K4me1, entity ZN (non-polymer), 65.409 Da
3. H3K4me1 (polymer, Thiol state: not present), 9 monomers, 1108.251 Da Detail

ARTXQTARY

Total weight

10055.255 Da

Max. entity weight

8881.595 Da

Entity Connection

na 4 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:CYS19:SG	2:ZN1:ZN
2	na	sing	1:CYS22:SG	2:ZN1:ZN
3	na	sing	1:CYS44:SG	2:ZN1:ZN
4	na	sing	1:CYS55:SG	2:ZN1:ZN

Source organism

Arabidopsis thaliana

Exptl. method

solution NMR

Refine. method

distance geometry

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 86.4 %, Completeness: 78.0 %, Completeness (bb): 73.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	78.0 % (752 of 964)	85.1 % (429 of 504)	65.4 % (238 of 364)	88.5 % (85 of 96)
Backbone	73.8 % (384 of 520)	86.5 % (154 of 178)	60.2 % (154 of 256)	88.4 % (76 of 86)
Sidechain	83.7 % (440 of 526)	84.4 % (275 of 326)	82.1 % (156 of 190)	90.0 % (9 of 10)
Aromatic	73.0 % (54 of 74)	81.1 % (30 of 37)	61.8 % (21 of 34)	100.0 % (3 of 3)
Methyl	87.1 % (54 of 62)	87.1 % (27 of 31)	87.1 % (27 of 31)

1. CW42

GSRRASVGSE FTESAWVRCD DCFKWRRIPA SVVGSIDESS RWICMNNSDK RFADCSKSQE MSNEEINEEL GIGQDEADA

3. H3K4me1

ARTXQTARY

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4

#	Name	Isotope labeling	Concentration
1	CW42 bound to H3K4me1	[U-99% 13C; U-99% 15N]	1.6 mM
2	sodium phosphate	natural abundance	20 mM
3	DTT	natural abundance	1 mM
4	D2O	[U-100% 2H]	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	na	indirect	0.2514
¹H	water	protons	na	direct	1.0
¹⁵N	water	protons	na	indirect	0.101

Referencing offset: 2.45 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	na	indirect	0.2514
¹H	water	protons	na	direct	1.0
¹⁵N	water	protons	na	indirect	0.101

Referencing offset: 2.45 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	na	indirect	0.2514
¹H	water	protons	na	direct	1.0
¹⁵N	water	protons	na	indirect	0.101

Referencing offset: 0.15 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 6QXZ, Strand ID: A, B Detail

Release date

2017-09-10

Citation

¹H, ¹³C, and ¹⁵N resonance assignments of CW domain of the N-methyltransferase ASHH2 free and bound to the mono-, di- and tri-methylated histone H3 tail peptides
Dobrovolska, O., Brilkov, M., Odegard, O., Aasland, R., Halskau, O.
Biomol. NMR Assign. (2018), 12, 215-220, PubMed 29453713 , DOI 10.1007/s12104-018-9811-x , Abstract

Related entities 1. CW42, : 2 : 3 entities Detail

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC