BMRB: 11115

Complex structure of the zf-CW domain and the H3K4me3 peptide

Authors

He, F., Muto, Y., Inoue, M., Kigawa, T., Shirouzu, M., Terada, T., Yokoyama, S.

Assembly

Complex structure of the zf-CW domain and the H3K4me3 peptide

Entity

1. zf-CW domain (polymer, Thiol state: free and other bound), 69 monomers, 7644.315 Da Detail

GSSGSSGEIS GFGQCLVWVQ CSFPNCGKWR RLCGNIDPSV LPDNWSCDQN TDVQYNRCDI PEETWTGLE

2. H3K4me3 peptide (polymer, Thiol state: not present), 10 monomers, 1189.388 Da Detail

ARTXQTARKS

3. ZN (non-polymer), 65.409 Da

Total weight

8899.112 Da

Max. entity weight

7644.315 Da

Entity Connection

na 4 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:CYS21:SG	3:ZN1:ZN
2	na	sing	1:CYS26:SG	3:ZN1:ZN
3	na	sing	1:CYS47:SG	3:ZN1:ZN
4	na	sing	1:CYS58:SG	3:ZN1:ZN

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 93.7 %, Completeness: 89.6 %, Completeness (bb): 85.2 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	89.6 % (777 of 867)	94.9 % (429 of 452)	84.1 % (275 of 327)	83.0 % (73 of 88)
Backbone	85.2 % (392 of 460)	91.9 % (147 of 160)	81.9 % (185 of 226)	81.1 % (60 of 74)
Sidechain	92.9 % (443 of 477)	96.6 % (282 of 292)	86.5 % (148 of 171)	92.9 % (13 of 14)
Aromatic	97.4 % (74 of 76)	97.4 % (37 of 38)	97.1 % (33 of 34)	100.0 % (4 of 4)
Methyl	93.1 % (54 of 58)	100.0 % (29 of 29)	86.2 % (25 of 29)

1. zf-CW domain

GSSGSSGEIS GFGQCLVWVQ CSFPNCGKWR RLCGNIDPSV LPDNWSCDQN TDVQYNRCDI PEETWTGLE

2. H3K4me3 peptide

ARTXQTARKS

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	zf-CW domain	[U-13C; U-15N]	protein	1.1 mM
2	H3K4me3 peptide	natural abundance	protein	1.1 mM
3	ZINC ION	natural abundance	ligand	50 uM
4	D-TRIS-HCL		buffer	20 mM
5	NACL		salt	100 mM
6	D-DTT		reducing agent	1 mM
7	NAN3		antimicrobial agent	0.02 %
8	ZNCL2		salt	50 uM
9	IDA		salt	1 mM
10	H2O		solvent	90 %
11	D2O		solvent	10 %

Hide sample codition

Protein Blocks Logo

Calculated from 20 models in PDB: 2RR4, Strand ID: A, B Detail

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Release date

2010-09-30

Citation

Structural insight into the zinc finger CW domain as a histone modification reader
He, F., Umehara, T., Saito, K., Harada, T., Watanabe, S., Yabuki, T., Kigawa, T., Takahashi, M., Kuwasako, K., Tsuda, K., Matsuda, T., Aoki, M., Seki, E., Kobayashi, N., Guntert, P., Yokoyama, S., Muto, Y.
Structure (2010), 18, 1127-1139, PubMed 20826339 , DOI 10.1016/j.str.2010.06.012 , Abstract

Related entities 1. zf-CW domain, : 2 : 10 entities Detail

Experiments performed 2 experiments Detail