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BMRB: 17071

2L11

Solution NMR structure of the Cbx3 in complex with H3K9me3 peptide

Authors

Kaustov, L., Lemak, A., Fares, C., Gutmanas, A., Quang, H., Loppnau, P., Min, J., Edwards, A., Arrowsmith, C.

Assembly

Cbx3 H3K9me3 complex

Entity

1. Cbx3 (polymer, Thiol state: all free), 54 monomers, 6347.033 Da Detail

GEFVVEKVLD RRVVNGKVEY FLKWKGFTDA DNTWEPEENL DCPELIEAFL NSQK

2. H3K9me3 (polymer, Thiol state: not present), 15 monomers, 1603.844 Da Detail

ARTKQTARXS TGGKA

Total weight

7950.877 Da

Max. entity weight

6347.033 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 87.0 %, Completeness: 80.0 %, Completeness (bb): 77.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	80.0 % (646 of 807)	82.7 % (349 of 422)	77.5 % (241 of 311)	75.7 % (56 of 74)
Backbone	77.0 % (311 of 404)	77.7 % (108 of 139)	77.4 % (154 of 199)	74.2 % (49 of 66)
Sidechain	82.8 % (386 of 466)	85.2 % (241 of 283)	78.9 % (138 of 175)	87.5 % (7 of 8)
Aromatic	83.3 % (60 of 72)	97.2 % (35 of 36)	67.6 % (23 of 34)	100.0 % (2 of 2)
Methyl	86.8 % (59 of 68)	91.2 % (31 of 34)	82.4 % (28 of 34)

1. Cbx3

GEFVVEKVLD RRVVNGKVEY FLKWKGFTDA DNTWEPEENL DCPELIEAFL NSQK

2. H3K9me3

ARTKQTARXS TGGKA

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
1	Cbx3	[U-13C; U-15N]	0.43 mM
2	H3K9me3	natural abundance	1.2 mM
3	sodium phosphate	natural abundance	20 mM
4	sodium chloride	natural abundance	200 mM
5	DTT	natural abundance	2 mM
6	TCEP	natural abundance	1 mM
7	PMSF	natural abundance	0.5 mM
8	Benzamidine	natural abundance	1 mM
9	H2O	natural abundance	90 %
10	D2O	natural abundance	10 %

Protein Blocks Logo

Calculated from 20 models in PDB: 2L11, Strand ID: A, B Detail

Release date

2010-08-17

Citation

Recognition and specificity determinants of the human cbx chromodomains
Kaustov, L., Ouyang, H., Amaya, M., Lemak, A., Nady, N., Duan, S., Wasney, G.A., Li, Z., Vedadi, M., Schapira, M., Min, J., Arrowsmith, C.H.
J. Biol. Chem. (2011), 286, 521-529, PubMed 21047797 , DOI 10.1074/jbc.M110.191411 , Abstract

Entries sharing articles BMRB: 2, Swiss-Prot: 4 entries Detail

  BMRB: 17072 released on 2010-08-17
    Title Solution NMR structure of the chromobox protein 7 with H3K9me3
  BMRB: 17079 released on 2010-08-17
    Title Solution NMR structure ov the chromobox protein Cbx7 with H3K27me3
  Swiss-Prot: O95503 released on 2001-08-29
    Title CBX6_HUMAN Entity Chromobox protein homolog 6
  Swiss-Prot: O95931 released on 2001-08-29
    Title CBX7_HUMAN Entity Chromobox protein homolog 7
  Swiss-Prot: Q9HC52 released on 2001-08-29
    Title CBX8_HUMAN Entity Chromobox protein homolog 8
  Swiss-Prot: P45973 released on 1995-11-01
    Title CBX5_HUMAN Entity Chromobox protein homolog 5

Related entities 1. Cbx3, : 3 : 106 entities Detail

Related entities 2. H3K9me3, : 109 : 17 entities Detail

Interaction partners 2. H3K9me3, : 2 interactors Detail

More details for 2 interactors identified by 2 citations

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC