BMRB Entry 18650

Name: NMR structure of RelA-TAD/CBP-TAZ1 complex
Published: 2013-09-10

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PDB ID: 2lww
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18650
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: NMR structure of RelA-TAD/CBP-TAZ1 complex PubMed: 24019758

Deposition date: 2012-08-07 Original release date: 2013-09-10

Authors: Wright, Peter; Mukherjee, Sulakshana

Citation: Mukherjee, Sulakshana; Behar, Marcelo; Birnbaum, Harry; Hoffmann, Alexander; Wright, Peter; Ghosh, Gourisankar. "Analysis of the RelA:CBP/p300 interaction reveals its involvement in NF-B-driven transcription." PLoS Biol. 11, .-. (2013).

Assembly members:
TAZ1, polymer, 100 residues, 11281.236 Da.
RelA-TA2, polymer, 70 residues, 7322.905 Da.
ZINC ION, non-polymer, 65.409 Da.

Natural source: Common Name: Mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus

Experimental source: Production method: recombinant technology Host organism: Escherichia coli

Entity Sequences (FASTA):
TAZ1: ATGPTADPEKRKLIQQQLVL LLHAHKCQRREQANGEVRAC SLPHCRTMKNVLNHMTHCQA GKACQVAHCASSRQIISHWK NCTRHDCPVCLPLKNASDKR
RelA-TA2: GSHMKSTQAGEGTLSEALLH LQFDADEDLGALLGNSTDPG VFTDLASVDNSEFQQLLNQG VSMSHSTAEP

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	531
15N chemical shifts	175
1H chemical shifts	1116

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Entity Assembly ID	Entity Name	Entity ID
1	TAZ1	1
2	RelA-TA2	2
3	ZINC ION_1	3
4	ZINC ION_2	3
5	ZINC ION_3	3

Samples:

sample_1: TAZ1, [U-13C; U-15N], 0.8 – 1.1 mM; RelA-TA21.2 – 1.5 mM; DTT 2 mM; TRIS 20 mM; sodium chloride 40 mM; D2O, [U-2H], 5%

sample_2: TAZ1, [U-13C], 0.8 – 1.1 mM; RelA-TA21.2 – 1.5 mM; DTT, [U-2H], 2 mM; TRIS, [U-2H], 20 mM; sodium chloride 40 mM; D2O, [U-2H], 99.8%

sample_3: RelA-TA2, [U-13C], 0.7 – 0.9 mM; TAZ11.5 – 1.8 mM; DTT, [U-2H], 2 mM; TRIS, [U-2H], 20 mM; sodium chloride 40 mM; D2O, [U-2H], 99.8%

sample_4: RelA-TA2, [U-13C; U-15N], 0.7 – 0.9 mM; TAZ11.5 – 1.8 mM; DTT 2 mM; TRIS 20 mM; sodium chloride 40 mM; D2O, [U-2H], 5%; H2O 95%

sample_5: TAZ1, [U-15N], 0.8 – 1.1 mM; RelA-TA21.2 – 1.5 mM; DTT 2 mM; TRIS 20 mM; sodium chloride 40 mM; D2O, [U-2H], 5%; H2O 95%

sample_6: RelA-TA2, [U-15N], 0.7 – 0.9 mM; TAZ11.5 – 1.8 mM; DTT 2 mM; TRIS 20 mM; sodium chloride 40 mM; D2O, [U-2H], 5%; H2O 95%

sample_conditions_1: ionic strength: 40 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HCCH-COSY	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_5	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_5	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_5	isotropic	sample_conditions_1
12C-filtered-13C-edited NOESY-HSQC	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_2	isotropic	sample_conditions_1
3D HNCO	sample_3	isotropic	sample_conditions_1
3D HNCA	sample_3	isotropic	sample_conditions_1
3D HNCACB	sample_3	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_3	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_4	isotropic	sample_conditions_1
3D HCCH-COSY	sample_4	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_6	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_6	isotropic	sample_conditions_1
12C-filtered-13C-edited NOESY-HSQC	sample_4	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_5	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_6	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_4	isotropic	sample_conditions_1

1	ALA	THR	GLY	PRO	THR	ALA	ASP	PRO	GLU	LYS
2	ARG	LYS	LEU	ILE	GLN	GLN	GLN	LEU	VAL	LEU
3	LEU	LEU	HIS	ALA	HIS	LYS	CYS	GLN	ARG	ARG
4	GLU	GLN	ALA	ASN	GLY	GLU	VAL	ARG	ALA	CYS
5	SER	LEU	PRO	HIS	CYS	ARG	THR	MET	LYS	ASN
6	VAL	LEU	ASN	HIS	MET	THR	HIS	CYS	GLN	ALA
7	GLY	LYS	ALA	CYS	GLN	VAL	ALA	HIS	CYS	ALA
8	SER	SER	ARG	GLN	ILE	ILE	SER	HIS	TRP	LYS
9	ASN	CYS	THR	ARG	HIS	ASP	CYS	PRO	VAL	CYS
10	LEU	PRO	LEU	LYS	ASN	ALA	SER	ASP	LYS	ARG

1	GLY	SER	HIS	MET	LYS	SER	THR	GLN	ALA	GLY
2	GLU	GLY	THR	LEU	SER	GLU	ALA	LEU	LEU	HIS
3	LEU	GLN	PHE	ASP	ALA	ASP	GLU	ASP	LEU	GLY
4	ALA	LEU	LEU	GLY	ASN	SER	THR	ASP	PRO	GLY
5	VAL	PHE	THR	ASP	LEU	ALA	SER	VAL	ASP	ASN
6	SER	GLU	PHE	GLN	GLN	LEU	LEU	ASN	GLN	GLY
7	VAL	SER	MET	SER	HIS	SER	THR	ALA	GLU	PRO

BMRB	16014
PDB	1L8C 1R8U 1U2N 2KA4 2LWW 2LWW
DBJ	BAE06125 BAG65526 BAI45616 BAC40904 BAE32727 BAE33485 BAE33954 BAE34348
EMBL	CDQ85159
GB	AAB28651 AAC08447 AAC51331 AAC51770 AAH44677 AAA39811 AAF82405 AAH03818 AAH79457 AAH94053
PRF	1923401A
REF	NP_001020603 NP_001073315 NP_001088637 NP_001157494 NP_001247644 NP_033071 NP_954888 XP_005351804 XP_006531757 XP_006531758
SP	P45481 Q6JHU9 Q92793 Q04207
TPG	DAA15549

Biological Magnetic Resonance Data Bank

BMRB Entry 18650

Title: NMR structure of RelA-TAD/CBP-TAZ1 complex PubMed: 24019758

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

Related Database Links:

1	ALA	THR	GLY	PRO	THR	ALA	ASP	PRO	GLU	LYS
2	ARG	LYS	LEU	ILE	GLN	GLN	GLN	LEU	VAL	LEU
3	LEU	LEU	HIS	ALA	HIS	LYS	CYS	GLN	ARG	ARG
4	GLU	GLN	ALA	ASN	GLY	GLU	VAL	ARG	ALA	CYS
5	SER	LEU	PRO	HIS	CYS	ARG	THR	MET	LYS	ASN
6	VAL	LEU	ASN	HIS	MET	THR	HIS	CYS	GLN	ALA
7	GLY	LYS	ALA	CYS	GLN	VAL	ALA	HIS	CYS	ALA
8	SER	SER	ARG	GLN	ILE	ILE	SER	HIS	TRP	LYS
9	ASN	CYS	THR	ARG	HIS	ASP	CYS	PRO	VAL	CYS
10	LEU	PRO	LEU	LYS	ASN	ALA	SER	ASP	LYS	ARG

1	GLY	SER	HIS	MET	LYS	SER	THR	GLN	ALA	GLY
2	GLU	GLY	THR	LEU	SER	GLU	ALA	LEU	LEU	HIS
3	LEU	GLN	PHE	ASP	ALA	ASP	GLU	ASP	LEU	GLY
4	ALA	LEU	LEU	GLY	ASN	SER	THR	ASP	PRO	GLY
5	VAL	PHE	THR	ASP	LEU	ALA	SER	VAL	ASP	ASN
6	SER	GLU	PHE	GLN	GLN	LEU	LEU	ASN	GLN	GLY
7	VAL	SER	MET	SER	HIS	SER	THR	ALA	GLU	PRO

1	ALA	THR	GLY	PRO	THR	ALA	ASP	PRO	GLU	LYS
2	ARG	LYS	LEU	ILE	GLN	GLN	GLN	LEU	VAL	LEU
3	LEU	LEU	HIS	ALA	HIS	LYS	CYS	GLN	ARG	ARG
4	GLU	GLN	ALA	ASN	GLY	GLU	VAL	ARG	ALA	CYS
5	SER	LEU	PRO	HIS	CYS	ARG	THR	MET	LYS	ASN
6	VAL	LEU	ASN	HIS	MET	THR	HIS	CYS	GLN	ALA
7	GLY	LYS	ALA	CYS	GLN	VAL	ALA	HIS	CYS	ALA
8	SER	SER	ARG	GLN	ILE	ILE	SER	HIS	TRP	LYS
9	ASN	CYS	THR	ARG	HIS	ASP	CYS	PRO	VAL	CYS
10	LEU	PRO	LEU	LYS	ASN	ALA	SER	ASP	LYS	ARG

1	GLY	SER	HIS	MET	LYS	SER	THR	GLN	ALA	GLY
2	GLU	GLY	THR	LEU	SER	GLU	ALA	LEU	LEU	HIS
3	LEU	GLN	PHE	ASP	ALA	ASP	GLU	ASP	LEU	GLY
4	ALA	LEU	LEU	GLY	ASN	SER	THR	ASP	PRO	GLY
5	VAL	PHE	THR	ASP	LEU	ALA	SER	VAL	ASP	ASN
6	SER	GLU	PHE	GLN	GLN	LEU	LEU	ASN	GLN	GLY
7	VAL	SER	MET	SER	HIS	SER	THR	ALA	GLU	PRO

1	ALA	THR	GLY	PRO	THR	ALA	ASP	PRO	GLU	LYS
2	ARG	LYS	LEU	ILE	GLN	GLN	GLN	LEU	VAL	LEU
3	LEU	LEU	HIS	ALA	HIS	LYS	CYS	GLN	ARG	ARG
4	GLU	GLN	ALA	ASN	GLY	GLU	VAL	ARG	ALA	CYS
5	SER	LEU	PRO	HIS	CYS	ARG	THR	MET	LYS	ASN
6	VAL	LEU	ASN	HIS	MET	THR	HIS	CYS	GLN	ALA
7	GLY	LYS	ALA	CYS	GLN	VAL	ALA	HIS	CYS	ALA
8	SER	SER	ARG	GLN	ILE	ILE	SER	HIS	TRP	LYS
9	ASN	CYS	THR	ARG	HIS	ASP	CYS	PRO	VAL	CYS
10	LEU	PRO	LEU	LYS	ASN	ALA	SER	ASP	LYS	ARG

1	GLY	SER	HIS	MET	LYS	SER	THR	GLN	ALA	GLY
2	GLU	GLY	THR	LEU	SER	GLU	ALA	LEU	LEU	HIS
3	LEU	GLN	PHE	ASP	ALA	ASP	GLU	ASP	LEU	GLY
4	ALA	LEU	LEU	GLY	ASN	SER	THR	ASP	PRO	GLY
5	VAL	PHE	THR	ASP	LEU	ALA	SER	VAL	ASP	ASN
6	SER	GLU	PHE	GLN	GLN	LEU	LEU	ASN	GLN	GLY
7	VAL	SER	MET	SER	HIS	SER	THR	ALA	GLU	PRO