BMRB: 30502

Solution structure of ZZZ3 ZZ domain in complex with histone H3K4ac peptide

Authors

Zhang, Y., Kutateladze, T.G.

Assembly

ZZ-type zinc finger-containing protein 3, H3K4ac

Entity

1. ZZ-type zinc finger-containing protein 3, H3K4ac, entity 1 (polymer, Thiol state: free and other bound), 64 monomers, 7270.051 Da Detail

GPLGSVQHVG FKCDNCGIEP IQGVRWHCQD CPPEMSLDFC DSCSDCLHET DIHKEDHQLE PIYR

2. ZZ-type zinc finger-containing protein 3, H3K4ac, entity 2 (polymer, Thiol state: not present), 8 monomers, 973.0872 Da Detail

ARTXQTAR

3. ZZ-type zinc finger-containing protein 3, H3K4ac, entity ZN (non-polymer), 65.409 × 2 Da

Total weight

8373.956 Da

Max. entity weight

7270.051 Da

Entity Connection

metal coordination 8 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	metal coordination	sing	1:CYS13:SG	3:ZN1:ZN
2	metal coordination	sing	1:CYS16:SG	3:ZN1:ZN
3	metal coordination	sing	1:CYS40:SG	3:ZN1:ZN
4	metal coordination	sing	1:CYS43:SG	3:ZN1:ZN
5	metal coordination	sing	1:CYS28:SG	3:ZN1:ZN
6	metal coordination	sing	1:CYS31:SG	3:ZN1:ZN
7	metal coordination	sing	1:HIS53:NE2	3:ZN1:ZN
8	metal coordination	sing	1:HIS57:NE2	3:ZN1:ZN

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 93.1 %, Completeness: 76.2 %, Completeness (bb): 72.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	76.2 % (606 of 795)	83.4 % (347 of 416)	64.1 % (196 of 306)	86.3 % (63 of 73)
Backbone	72.4 % (301 of 416)	85.9 % (122 of 142)	58.7 % (122 of 208)	86.4 % (57 of 66)
Sidechain	81.3 % (362 of 445)	82.1 % (225 of 274)	79.9 % (131 of 164)	85.7 % (6 of 7)
Aromatic	76.7 % (46 of 60)	90.0 % (27 of 30)	62.1 % (18 of 29)	100.0 % (1 of 1)
Methyl	87.0 % (47 of 54)	92.6 % (25 of 27)	81.5 % (22 of 27)

1. entity 1

GPLGSVQHVG FKCDNCGIEP IQGVRWHCQD CPPEMSLDFC DSCSDCLHET DIHKEDHQLE PIYR

2. entity 2

ARTXQTAR

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 2 mM [U-13C; U-15N] ZZ domain of ZZZ3, 4 nM H3K4ac, 7 % [U-99% 2H] D2O, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	ZZ domain of ZZZ3	[U-13C; U-15N]		2 mM
2	H3K4ac	natural abundance		4 nM
3	NaCl	natural abundance		100 mM
4	D2O	[U-99% 2H]		7 %

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Release date

2018-08-07

Citation

The ZZ-type zinc finger of ZZZ3 modulates the ATAC complex-mediated histone acetylation and gene activation
Mi, W., Zhang, Y., Lyu, J., Wang, X., Tong, Q., Peng, D., Xue, Y., Tencer, A.H., Wen, H., Li, W., Kutateladze, T.G., Shi, X.
Nat. Commun. (2018), 9, 3759-3759, PubMed 30217978 , DOI 10.1038/s41467-018-06247-5 , Abstract

Related entities 1. ZZ-type zinc finger-containing protein 3, H3K4ac, entity 1, : 2 : 51 entities Detail

Experiments performed 4 experiments Detail