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BMRB: 17079

2L1B

Solution NMR structure ov the chromobox protein Cbx7 with H3K27me3

Authors

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

Assembly

PROTEIN

Entity

1. Cbx7 (polymer, Thiol state: not present), 56 monomers, 6803.746 Da Detail

GEQVFAVESI RKKRVRKGKV EYLVKWKGWP PKYSTWEPEE HILDPRLVMA YEEKEE

2. H3K27me3 (polymer, Thiol state: not present), 15 monomers, 1513.759 Da Detail

QLATKAARXS APATG

Total weight

8317.505 Da

Max. entity weight

6803.746 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 91.5 %, Completeness: 83.2 %, Completeness (bb): 76.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	83.2 % (715 of 859)	89.7 % (408 of 455)	76.6 % (256 of 334)	72.9 % (51 of 70)
Backbone	76.3 % (313 of 410)	82.7 % (115 of 139)	73.3 % (151 of 206)	72.3 % (47 of 65)
Sidechain	85.2 % (439 of 515)	90.2 % (285 of 316)	77.3 % (150 of 194)	80.0 % (4 of 5)
Aromatic	83.8 % (62 of 74)	94.6 % (35 of 37)	70.6 % (24 of 34)	100.0 % (3 of 3)
Methyl	82.4 % (56 of 68)	91.2 % (31 of 34)	73.5 % (25 of 34)

1. Cbx7

GEQVFAVESI RKKRVRKGKV EYLVKWKGWP PKYSTWEPEE HILDPRLVMA YEEKEE

2. H3K27me3

QLATKAARXS APATG

Show sample condition

Sample

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

#	Name	Isotope labeling	Concentration
1	Cbx7	[U-13C; U-15N]	0.5 mM
2	H3K27me3	natural abundance	2.7 mM
3	sodium phosphate	natural abundance	10 mM
4	sodium chloride	natural abundance	300 mM
5	PMSF	natural abundance	0.5 mM
6	TCEP	natural abundance	0.5 mM
7	Benzamidine	natural abundance	1 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl carbons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methylene protons	na	indirect	0.1013291

Referencing offset: -0.04 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl carbons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methylene protons	na	indirect	0.1013291

Referencing offset: -0.04 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl carbons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methylene protons	na	indirect	0.1013291

Referencing offset: 0.03 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl carbons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methylene protons	na	indirect	0.1013291

Referencing offset: 0.04 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2L1B, 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: 17071 released on 2010-08-17
    Title Solution NMR structure of the Cbx3 in complex with H3K9me3 peptide
  BMRB: 17072 released on 2010-08-17
    Title Solution NMR structure of the chromobox protein 7 with H3K9me3
  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. Cbx7, : 1 : 13 : 1 : 108 entities Detail

Related entities 2. H3K27me3, : 52 : 46 entities Detail

Interaction partners 2. H3K27me3, : 15 interactors Detail

More details for 15 interactors identified by 10 citations

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC