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Found 1 Document (7.713 seconds)

BMRB: 18650

2LWW

NMR structure of RelA-TAD/CBP-TAZ1 complex

Authors

Wright, P.E., Mukherjee, S.P.

Assembly

RelA-TAD/CBP-TAZ1 complex

Entity

1. TAZ1 (polymer, Thiol state: all other bound), 100 monomers, 11256.98 Da Detail

ATGPTADPEK RKLIQQQLVL LLHAHKCQRR EQANGEVRAC SLPHCRTMKN VLNHMTHCQA GKACQVAHCA SSRQIISHWK NCTRHDCPVC LPLKNASDKR

2. RelA-TA2 (polymer, Thiol state: not present), 70 monomers, 7318.808 Da Detail

GSHMKSTQAG EGTLSEALLH LQFDADEDLG ALLGNSTDPG VFTDLASVDN SEFQQLLNQG VSMSHSTAEP

3. ZINC ION (non-polymer), 65.409 × 3 Da

Total weight

18772.016 Da

Max. entity weight

11256.98 Da

Entity Connection

na 8 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:CYS27:SG	3:ZN1:ZN
2	na	sing	1:CYS40:SG	3:ZN1:ZN
3	na	sing	1:CYS58:SG	3:ZN1:ZN
4	na	sing	1:CYS64:SG	3:ZN1:ZN
5	na	sing	1:CYS69:SG	3:ZN1:ZN
6	na	sing	1:CYS82:SG	3:ZN1:ZN
7	na	sing	1:CYS87:SG	3:ZN1:ZN
8	na	sing	1:CYS90:SG	3:ZN1:ZN

Source organism

Mus musculus

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 69.1 %, Completeness (bb): 82.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	69.1 % (1304 of 1887)	62.7 % (616 of 982)	71.1 % (512 of 720)	95.1 % (176 of 185)
Backbone	82.5 % (830 of 1006)	93.0 % (319 of 343)	70.8 % (354 of 500)	96.3 % (157 of 163)
Sidechain	60.7 % (632 of 1041)	46.5 % (297 of 639)	83.2 % (316 of 380)	86.4 % (19 of 22)
Aromatic	73.3 % (63 of 86)	74.4 % (32 of 43)	71.4 % (30 of 42)	100.0 % (1 of 1)
Methyl	70.9 % (122 of 172)	98.8 % (85 of 86)	43.0 % (37 of 86)

1. TAZ1

ATGPTADPEK RKLIQQQLVL LLHAHKCQRR EQANGEVRAC SLPHCRTMKN VLNHMTHCQA GKACQVAHCA SSRQIISHWK NCTRHDCPVC LPLKNASDKR

2. RelA-TA2

GSHMKSTQAG EGTLSEALLH LQFDADEDLG ALLGNSTDPG VFTDLASVDN SEFQQLLNQG VSMSHSTAEP

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	TAZ1	[U-13C; U-15N]	0.8 ~ 1.1 mM
2	RelA-TA2	natural abundance	1.2 ~ 1.5 mM
3	DTT	natural abundance	2 mM
4	TRIS	natural abundance	20 mM
5	sodium chloride	natural abundance	40 mM
6	D2O	[U-2H]	5 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	TAZ1	[U-13C]	0.8 ~ 1.1 mM
8	RelA-TA2	natural abundance	1.2 ~ 1.5 mM
9	DTT	[U-2H]	2 mM
10	TRIS	[U-2H]	20 mM
11	sodium chloride	natural abundance	40 mM
12	D2O	[U-2H]	99.8 %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
13	RelA-TA2	[U-13C]	0.7 ~ 0.9 mM
14	TAZ1	natural abundance	1.5 ~ 1.8 mM
15	DTT	[U-2H]	2 mM
16	TRIS	[U-2H]	20 mM
17	sodium chloride	natural abundance	40 mM
18	D2O	[U-2H]	99.8 %

Sample #4

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
19	RelA-TA2	[U-13C; U-15N]	0.7 ~ 0.9 mM
20	TAZ1	natural abundance	1.5 ~ 1.8 mM
21	DTT	natural abundance	2 mM
22	TRIS	natural abundance	20 mM
23	sodium chloride	natural abundance	40 mM
24	D2O	[U-2H]	5 %
25	H2O	natural abundance	95 %

Sample #5

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
26	TAZ1	[U-15N]	0.8 ~ 1.1 mM
27	RelA-TA2	natural abundance	1.2 ~ 1.5 mM
28	DTT	natural abundance	2 mM
29	TRIS	natural abundance	20 mM
30	sodium chloride	natural abundance	40 mM
31	D2O	[U-2H]	5 %
32	H2O	natural abundance	95 %

Sample #6

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
33	RelA-TA2	[U-15N]	0.7 ~ 0.9 mM
34	TAZ1	natural abundance	1.5 ~ 1.8 mM
35	DTT	natural abundance	2 mM
36	TRIS	natural abundance	20 mM
37	sodium chloride	natural abundance	40 mM
38	D2O	[U-2H]	5 %
39	H2O	natural abundance	95 %

LACS Plot; CA

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

Referencing offset: 0.26 ppm, Outliers: 3 Detail

LACS Plot; CB

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

Referencing offset: 0.26 ppm, Outliers: 3 Detail

LACS Plot; HA

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

Referencing offset: 0.05 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2013-09-09

Citation

Analysis of the RelA:CBP/p300 interaction reveals its involvement in NF-κB-driven transcription
Mukherjee, S.P., Behar, M., Birnbaum, H.A., Hoffmann, A., Wright, P.E., Ghosh, G.
PLoS Biol. (2013), 11, e1001647-e1001647, PubMed 24019758 , DOI 10.1371/journal.pbio.1001647 , Abstract

Related entities 1. TAZ1, : 6 : 47 entities Detail

Related entities 2. RelA-TA2, : 1 : 2 : 4 entities Detail

Interaction partners 1. TAZ1, : 77 : 1 interactors Detail

More details for 78 interactors identified by 53 citations

Interaction partners 2. RelA-TA2, : 29 : 1 interactors Detail

More details for 30 interactors identified by 17 citations

Experiments performed 24 experiments Detail

1 3D HNCO

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	TAZ1	[U-13C; U-15N]	0.8 ~ 1.1 mM
2	RelA-TA2	natural abundance	1.2 ~ 1.5 mM
3	DTT	natural abundance	2 mM
4	TRIS	natural abundance	20 mM
5	sodium chloride	natural abundance	40 mM
6	D2O	[U-2H]	5 %

2 3D HNCA

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	TAZ1	[U-13C; U-15N]	0.8 ~ 1.1 mM
2	RelA-TA2	natural abundance	1.2 ~ 1.5 mM
3	DTT	natural abundance	2 mM
4	TRIS	natural abundance	20 mM
5	sodium chloride	natural abundance	40 mM
6	D2O	[U-2H]	5 %

3 3D HNCACB

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	TAZ1	[U-13C; U-15N]	0.8 ~ 1.1 mM
2	RelA-TA2	natural abundance	1.2 ~ 1.5 mM
3	DTT	natural abundance	2 mM
4	TRIS	natural abundance	20 mM
5	sodium chloride	natural abundance	40 mM
6	D2O	[U-2H]	5 %

4 3D HCCH-COSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	TAZ1	[U-13C]	0.8 ~ 1.1 mM
8	RelA-TA2	natural abundance	1.2 ~ 1.5 mM
9	DTT	[U-2H]	2 mM
10	TRIS	[U-2H]	20 mM
11	sodium chloride	natural abundance	40 mM
12	D2O	[U-2H]	99.8 %

5 3D 1H-13C NOESY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	TAZ1	[U-13C]	0.8 ~ 1.1 mM
8	RelA-TA2	natural abundance	1.2 ~ 1.5 mM
9	DTT	[U-2H]	2 mM
10	TRIS	[U-2H]	20 mM
11	sodium chloride	natural abundance	40 mM
12	D2O	[U-2H]	99.8 %

6 2D 1H-13C HSQC

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	TAZ1	[U-13C]	0.8 ~ 1.1 mM
8	RelA-TA2	natural abundance	1.2 ~ 1.5 mM
9	DTT	[U-2H]	2 mM
10	TRIS	[U-2H]	20 mM
11	sodium chloride	natural abundance	40 mM
12	D2O	[U-2H]	99.8 %

7 2D 1H-15N HSQC

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
26	TAZ1	[U-15N]	0.8 ~ 1.1 mM
27	RelA-TA2	natural abundance	1.2 ~ 1.5 mM
28	DTT	natural abundance	2 mM
29	TRIS	natural abundance	20 mM
30	sodium chloride	natural abundance	40 mM
31	D2O	[U-2H]	5 %
32	H2O	natural abundance	95 %

8 3D 1H-15N TOCSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
26	TAZ1	[U-15N]	0.8 ~ 1.1 mM
27	RelA-TA2	natural abundance	1.2 ~ 1.5 mM
28	DTT	natural abundance	2 mM
29	TRIS	natural abundance	20 mM
30	sodium chloride	natural abundance	40 mM
31	D2O	[U-2H]	5 %
32	H2O	natural abundance	95 %

9 3D 1H-15N NOESY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
26	TAZ1	[U-15N]	0.8 ~ 1.1 mM
27	RelA-TA2	natural abundance	1.2 ~ 1.5 mM
28	DTT	natural abundance	2 mM
29	TRIS	natural abundance	20 mM
30	sodium chloride	natural abundance	40 mM
31	D2O	[U-2H]	5 %
32	H2O	natural abundance	95 %

10 12C-filtered-13C-edited NOESY-HSQC

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	TAZ1	[U-13C]	0.8 ~ 1.1 mM
8	RelA-TA2	natural abundance	1.2 ~ 1.5 mM
9	DTT	[U-2H]	2 mM
10	TRIS	[U-2H]	20 mM
11	sodium chloride	natural abundance	40 mM
12	D2O	[U-2H]	99.8 %

11 2D 1H-13C HSQC aromatic

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	TAZ1	[U-13C]	0.8 ~ 1.1 mM
8	RelA-TA2	natural abundance	1.2 ~ 1.5 mM
9	DTT	[U-2H]	2 mM
10	TRIS	[U-2H]	20 mM
11	sodium chloride	natural abundance	40 mM
12	D2O	[U-2H]	99.8 %

12 3D HNCO

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
13	RelA-TA2	[U-13C]	0.7 ~ 0.9 mM
14	TAZ1	natural abundance	1.5 ~ 1.8 mM
15	DTT	[U-2H]	2 mM
16	TRIS	[U-2H]	20 mM
17	sodium chloride	natural abundance	40 mM
18	D2O	[U-2H]	99.8 %

13 3D HNCA

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
13	RelA-TA2	[U-13C]	0.7 ~ 0.9 mM
14	TAZ1	natural abundance	1.5 ~ 1.8 mM
15	DTT	[U-2H]	2 mM
16	TRIS	[U-2H]	20 mM
17	sodium chloride	natural abundance	40 mM
18	D2O	[U-2H]	99.8 %

14 3D HNCACB

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
13	RelA-TA2	[U-13C]	0.7 ~ 0.9 mM
14	TAZ1	natural abundance	1.5 ~ 1.8 mM
15	DTT	[U-2H]	2 mM
16	TRIS	[U-2H]	20 mM
17	sodium chloride	natural abundance	40 mM
18	D2O	[U-2H]	99.8 %

15 3D CBCA(CO)NH

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
13	RelA-TA2	[U-13C]	0.7 ~ 0.9 mM
14	TAZ1	natural abundance	1.5 ~ 1.8 mM
15	DTT	[U-2H]	2 mM
16	TRIS	[U-2H]	20 mM
17	sodium chloride	natural abundance	40 mM
18	D2O	[U-2H]	99.8 %

16 3D CBCA(CO)NH

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	TAZ1	[U-13C; U-15N]	0.8 ~ 1.1 mM
2	RelA-TA2	natural abundance	1.2 ~ 1.5 mM
3	DTT	natural abundance	2 mM
4	TRIS	natural abundance	20 mM
5	sodium chloride	natural abundance	40 mM
6	D2O	[U-2H]	5 %

17 3D 1H-13C NOESY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
19	RelA-TA2	[U-13C; U-15N]	0.7 ~ 0.9 mM
20	TAZ1	natural abundance	1.5 ~ 1.8 mM
21	DTT	natural abundance	2 mM
22	TRIS	natural abundance	20 mM
23	sodium chloride	natural abundance	40 mM
24	D2O	[U-2H]	5 %
25	H2O	natural abundance	95 %

18 3D HCCH-COSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
19	RelA-TA2	[U-13C; U-15N]	0.7 ~ 0.9 mM
20	TAZ1	natural abundance	1.5 ~ 1.8 mM
21	DTT	natural abundance	2 mM
22	TRIS	natural abundance	20 mM
23	sodium chloride	natural abundance	40 mM
24	D2O	[U-2H]	5 %
25	H2O	natural abundance	95 %

19 3D 1H-15N NOESY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
33	RelA-TA2	[U-15N]	0.7 ~ 0.9 mM
34	TAZ1	natural abundance	1.5 ~ 1.8 mM
35	DTT	natural abundance	2 mM
36	TRIS	natural abundance	20 mM
37	sodium chloride	natural abundance	40 mM
38	D2O	[U-2H]	5 %
39	H2O	natural abundance	95 %

20 3D 1H-15N TOCSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
33	RelA-TA2	[U-15N]	0.7 ~ 0.9 mM
34	TAZ1	natural abundance	1.5 ~ 1.8 mM
35	DTT	natural abundance	2 mM
36	TRIS	natural abundance	20 mM
37	sodium chloride	natural abundance	40 mM
38	D2O	[U-2H]	5 %
39	H2O	natural abundance	95 %

21 12C-filtered-13C-edited NOESY-HSQC

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
19	RelA-TA2	[U-13C; U-15N]	0.7 ~ 0.9 mM
20	TAZ1	natural abundance	1.5 ~ 1.8 mM
21	DTT	natural abundance	2 mM
22	TRIS	natural abundance	20 mM
23	sodium chloride	natural abundance	40 mM
24	D2O	[U-2H]	5 %
25	H2O	natural abundance	95 %

22 2D 1H-15N HSQC

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
26	TAZ1	[U-15N]	0.8 ~ 1.1 mM
27	RelA-TA2	natural abundance	1.2 ~ 1.5 mM
28	DTT	natural abundance	2 mM
29	TRIS	natural abundance	20 mM
30	sodium chloride	natural abundance	40 mM
31	D2O	[U-2H]	5 %
32	H2O	natural abundance	95 %

23 2D 1H-15N HSQC

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
33	RelA-TA2	[U-15N]	0.7 ~ 0.9 mM
34	TAZ1	natural abundance	1.5 ~ 1.8 mM
35	DTT	natural abundance	2 mM
36	TRIS	natural abundance	20 mM
37	sodium chloride	natural abundance	40 mM
38	D2O	[U-2H]	5 %
39	H2O	natural abundance	95 %

24 2D 1H-13C HSQC aromatic

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
19	RelA-TA2	[U-13C; U-15N]	0.7 ~ 0.9 mM
20	TAZ1	natural abundance	1.5 ~ 1.8 mM
21	DTT	natural abundance	2 mM
22	TRIS	natural abundance	20 mM
23	sodium chloride	natural abundance	40 mM
24	D2O	[U-2H]	5 %
25	H2O	natural abundance	95 %

nullKeywords Creb Binding Protein, NF-kappaB, p65, Transcription

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Found 1 Document (7.713 seconds)

BMRB: 18650

Sample #1

Sample #2

Sample #3

Sample #4

Sample #5

Sample #6

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. TAZ1, : 6 : 47 entities Detail

Related entities 2. RelA-TA2, : 1 : 2 : 4 entities Detail

Interaction partners 1. TAZ1, : 77 : 1 interactors Detail

Interaction partners 2. RelA-TA2, : 29 : 1 interactors Detail

Experiments performed 24 experiments Detail

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