BMRB Entry 17071

Name: Solution NMR structure of the Cbx3 in complex with H3K9me3 peptide
Published: 2010-08-18

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PDB ID: 2l11
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR17071
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution NMR structure of the Cbx3 in complex with H3K9me3 peptide

Deposition date:

2010-07-22

Original release date:

2010-08-18

Authors:

Kaustov, Lilia; Lemak, Alexander; Fares, Christophe; Gutmanas, Aleksandras; Quang, Hui; Loppnau, Peter; Min, Jinrong; Edwards, Al; Arrowsmith, Cheryl

Citation:

Citation: Kaustov, Lilia; Ouyang, Hui; Amaya, Maria; Lemak, Alexander; Nady, Nataliya; Duan, Shili; Wasney, Gregory; Li, Zhihong; Vedadi, Masoud; Schapira, Matthieu; Min, Jinrong; Arrowsmith, Cheryl. "Recognition and specificity determinants of the human cbx chromodomains." J. Biol. Chem. 286, 521-529 (2011).
PubMed: 21047797

Assembly members:

Assembly members:
Cbx3, polymer, 54 residues, 6354.158 Da.
H3K9me3, polymer, 15 residues, 1607.892 Da.

Natural source:

Natural source: Common Name: human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28a-mhl

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Cbx3: GEFVVEKVLDRRVVNGKVEY FLKWKGFTDADNTWEPEENL DCPELIEAFLNSQK
H3K9me3: ARTKQTARXSTGGKA

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
spectral_peak_list

Data type	Count
13C chemical shifts	241
15N chemical shifts	56
1H chemical shifts	424

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Cbx3	1
2	H3K9me3	2

Entities:

Entity 1, Cbx3 54 residues - 6354.158 Da.

1

GLY

GLU

PHE

VAL

GLU

LYS

VAL

LEU

ASP

2

ARG

VAL

ASN

GLY

LYS

VAL

GLU

TYR

3

PHE

LEU

LYS

TRP

LYS

GLY

PHE

THR

ASP

ALA

4

ASP

ASN

THR

TRP

GLU

PRO

GLU

ASN

LEU

5

ASP

CYS

PRO

GLU

LEU

ILE

GLU

ALA

PHE

LEU

6

ASN

SER

GLN

LYS

Entity 2, H3K9me3 15 residues - 1607.892 Da.

X = N-TRIMETHYLLYSINE

1

ALA

ARG

THR

LYS

GLN

THR

ALA

ARG

M3L

SER

2

THR

GLY

LYS

ALA

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D-15N-NOESY	sample_1	isotropic	sample_conditions_1
3D-13C-NOESY	sample_1	isotropic	sample_conditions_1
3D -13C-aromatic-NOESY	sample_1	isotropic	sample_conditions_1
3D (H)CCH-TOCSY	sample_1	isotropic	sample_conditions_1
13C/15N-filtered/edited NOESY	sample_1	isotropic	sample_conditions_1
3D aro 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D-aromatic 1H-13C-TOCSY	sample_1	isotropic	sample_conditions_1

PDB	2L11 3DM1 3TZD
DBJ	BAA33401 BAA83340 BAB22450 BAC39078 BAE27125
EMBL	CAA40012 CAC42944 CAH92483
GB	AAB48101 AAF62370 AAH00954 AAH18354 AAH59831
REF	NP_001008314 NP_001094668 NP_001126464 NP_001180536 NP_001233631
SP	P23198 Q13185 Q5R6X7
TPG	DAA30517
AlphaFold	P23198 Q13185 Q5R6X7 P17320

BMRB Entry 17071

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

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