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BMRB: 25958

2NB1

p63/p73 hetero-tetramerisation domain

Authors

Gebel, J., Buchner, L., Loehr, F.M., Luh, L.M., Coutandin, D., Guentert, P., Doetsch, V.

Assembly

p63/p73 hetero-tetramerisation domain

Entity

1. p63 tetramerization domain (polymer, Thiol state: not present), 60 monomers, 7315.123 × 2 Da Detail

SDDELLYLPV RGRETYEMLL EIKESLELMQ YLPQHTIETY RQQQQQQHQH LLQKQTSIQS

2. p73 tetramerization domain (polymer, Thiol state: not present), 50 monomers, 6027.835 × 2 Da Detail

GSDEDTYYLQ VRGRKNFEIL MKLKESLELM ELVPQPLVDS YRQQQQLLQR

Total weight

26685.916 Da

Max. entity weight

7315.123 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 89.9 %, Completeness (bb): 96.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	89.9 % (1249 of 1390)	89.6 % (663 of 740)	91.6 % (480 of 524)	84.1 % (106 of 126)
Backbone	96.6 % (630 of 652)	95.0 % (208 of 219)	97.9 % (320 of 327)	96.2 % (102 of 106)
Sidechain	85.8 % (725 of 845)	87.3 % (455 of 521)	87.5 % (266 of 304)	20.0 % (4 of 20)
Aromatic	70.5 % (55 of 78)	92.3 % (36 of 39)	48.7 % (19 of 39)
Methyl	89.8 % (106 of 118)	93.2 % (55 of 59)	86.4 % (51 of 59)

1. p63 tetramerization domain

SDDELLYLPV RGRETYEMLL EIKESLELMQ YLPQHTIETY RQQQQQQHQH LLQKQTSIQS

2. p73 tetramerization domain

GSDEDTYYLQ VRGRKNFEIL MKLKESLELM ELVPQPLVDS YRQQQQLLQR

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
1	p63 tetramerization domain	[U-100% 13C; U-100% 15N]	0.5 mM
2	p73 tetramerization domain	natural abundance	0.5 mM
3	HEPES	natural abundance	25 mM
4	sodium chloride	natural abundance	50 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
7	p63 tetramerization domain	natural abundance	0.5 mM
8	p73 tetramerization domain	[U-100% 13C; U-100% 15N]	0.5 mM
9	HEPES	natural abundance	25 mM
10	sodium chloride	natural abundance	50 mM
11	H2O	natural abundance	95 %
12	D2O	natural abundance	5 %

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
13	p63 tetramerization domain	[U-100% 15N]	0.5 mM
14	p63 tetramerization domain	[U-100% 13C]	0.5 mM
15	p73 tetramerization domain	natural abundance	1 mM
16	HEPES	natural abundance	25 mM
17	sodium chloride	natural abundance	50 mM

Sample #4

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
18	p63 tetramerization domain	natural abundance	1 mM
19	p73 tetramerization domain	[U-100% 15N]	0.5 mM
20	p73 tetramerization domain	[U-100% 13C]	0.5 mM
21	HEPES	natural abundance	25 mM
22	sodium chloride	natural abundance	50 mM

Sample #5

Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
23	p63 tetramerization domain	[U-100% 15N]	0.5 mM
24	p73 tetramerization domain	natural abundance	0.5 mM
25	HEPES	natural abundance	25 mM
26	sodium chloride	natural abundance	50 mM

Sample #6

Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
27	p63 tetramerization domain	natural abundance	0.5 mM
28	p73 tetramerization domain	[U-100% 15N]	0.5 mM
29	HEPES	natural abundance	25 mM
30	sodium chloride	natural abundance	50 mM

Sample #7

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
31	p63 tetramerization domain	[U-100% 15N]	0.5 mM
32	p63 tetramerization domain	[U-100% 13C]	0.5 mM
33	p73 tetramerization domain	[U-100% 15N]	0.5 mM
34	p73 tetramerization domain	[U-100% 13C]	0.5 mM
35	HEPES	natural abundance	25 mM
36	sodium chloride	natural abundance	50 mM

Protein Blocks Logo

Calculated from 20 models in PDB: 2NB1, Strand ID: A, B, C, D Detail

Release date

2016-02-07

Citation

Mechanism of TAp73 inhibition by ΔNp63 and structural basis of p63/p73 hetero-tetramerization
Gebel, J., Luh, L.M., Coutandin, D., Osterburg, C., Lohr, F., Schafer, B., Frombach, A., Sumyk, M., Buchner, L., Krojer, T., Salah, E., Mathea, S., Guntert, P., Knapp, S., Dotsch, V.
Cell Death Differ. (2016), 23, 1930-1940, PubMed 27716744 , DOI 10.1038/cdd.2016.83 , Abstract

Related entities 1. p63 tetramerization domain, : 6 entities Detail

Related entities 2. p73 tetramerization domain, : 2 : 2 : 3 : 40 entities Detail

Interaction partners 1. p63 tetramerization domain, : 21 interactors Detail

More details for 21 interactors identified by 15 citations

Experiments performed 33 experiments Detail

1 3D HNCACB

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
1	p63 tetramerization domain	[U-100% 13C; U-100% 15N]	0.5 mM
2	p73 tetramerization domain	natural abundance	0.5 mM
3	HEPES	natural abundance	25 mM
4	sodium chloride	natural abundance	50 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

2 3D HN(CA)CO

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
1	p63 tetramerization domain	[U-100% 13C; U-100% 15N]	0.5 mM
2	p73 tetramerization domain	natural abundance	0.5 mM
3	HEPES	natural abundance	25 mM
4	sodium chloride	natural abundance	50 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

3 3D 1H-15N NOESY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
1	p63 tetramerization domain	[U-100% 13C; U-100% 15N]	0.5 mM
2	p73 tetramerization domain	natural abundance	0.5 mM
3	HEPES	natural abundance	25 mM
4	sodium chloride	natural abundance	50 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

4 3D HNCACB

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
7	p63 tetramerization domain	natural abundance	0.5 mM
8	p73 tetramerization domain	[U-100% 13C; U-100% 15N]	0.5 mM
9	HEPES	natural abundance	25 mM
10	sodium chloride	natural abundance	50 mM
11	H2O	natural abundance	95 %
12	D2O	natural abundance	5 %

5 3D HN(CA)CO

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
7	p63 tetramerization domain	natural abundance	0.5 mM
8	p73 tetramerization domain	[U-100% 13C; U-100% 15N]	0.5 mM
9	HEPES	natural abundance	25 mM
10	sodium chloride	natural abundance	50 mM
11	H2O	natural abundance	95 %
12	D2O	natural abundance	5 %

6 3D 1H-15N NOESY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
7	p63 tetramerization domain	natural abundance	0.5 mM
8	p73 tetramerization domain	[U-100% 13C; U-100% 15N]	0.5 mM
9	HEPES	natural abundance	25 mM
10	sodium chloride	natural abundance	50 mM
11	H2O	natural abundance	95 %
12	D2O	natural abundance	5 %

7 3D H(CCO)NH

Instrument

Bruker Avance II - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
1	p63 tetramerization domain	[U-100% 13C; U-100% 15N]	0.5 mM
2	p73 tetramerization domain	natural abundance	0.5 mM
3	HEPES	natural abundance	25 mM
4	sodium chloride	natural abundance	50 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

8 3D C(CO)NH

Instrument

Bruker Avance II - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
1	p63 tetramerization domain	[U-100% 13C; U-100% 15N]	0.5 mM
2	p73 tetramerization domain	natural abundance	0.5 mM
3	HEPES	natural abundance	25 mM
4	sodium chloride	natural abundance	50 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

9 3D H(CCO)NH

Instrument

Bruker Avance II - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
7	p63 tetramerization domain	natural abundance	0.5 mM
8	p73 tetramerization domain	[U-100% 13C; U-100% 15N]	0.5 mM
9	HEPES	natural abundance	25 mM
10	sodium chloride	natural abundance	50 mM
11	H2O	natural abundance	95 %
12	D2O	natural abundance	5 %

10 3D C(CO)NH

Instrument

Bruker Avance II - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
7	p63 tetramerization domain	natural abundance	0.5 mM
8	p73 tetramerization domain	[U-100% 13C; U-100% 15N]	0.5 mM
9	HEPES	natural abundance	25 mM
10	sodium chloride	natural abundance	50 mM
11	H2O	natural abundance	95 %
12	D2O	natural abundance	5 %

11 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance II - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
1	p63 tetramerization domain	[U-100% 13C; U-100% 15N]	0.5 mM
2	p73 tetramerization domain	natural abundance	0.5 mM
3	HEPES	natural abundance	25 mM
4	sodium chloride	natural abundance	50 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

12 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance II - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
7	p63 tetramerization domain	natural abundance	0.5 mM
8	p73 tetramerization domain	[U-100% 13C; U-100% 15N]	0.5 mM
9	HEPES	natural abundance	25 mM
10	sodium chloride	natural abundance	50 mM
11	H2O	natural abundance	95 %
12	D2O	natural abundance	5 %

13 2D (H)CB(CG)CCH-TOCSY

Instrument

Bruker Avance II - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
1	p63 tetramerization domain	[U-100% 13C; U-100% 15N]	0.5 mM
2	p73 tetramerization domain	natural abundance	0.5 mM
3	HEPES	natural abundance	25 mM
4	sodium chloride	natural abundance	50 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

14 2D (H)CB(CG)CCH-TOCSY

Instrument

Bruker Avance II - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
7	p63 tetramerization domain	natural abundance	0.5 mM
8	p73 tetramerization domain	[U-100% 13C; U-100% 15N]	0.5 mM
9	HEPES	natural abundance	25 mM
10	sodium chloride	natural abundance	50 mM
11	H2O	natural abundance	95 %
12	D2O	natural abundance	5 %

15 2D (HB)CB(CDCD)HD

Instrument

Bruker Avance II - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
1	p63 tetramerization domain	[U-100% 13C; U-100% 15N]	0.5 mM
2	p73 tetramerization domain	natural abundance	0.5 mM
3	HEPES	natural abundance	25 mM
4	sodium chloride	natural abundance	50 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

16 2D (HB)CB(CDCD)HD

Instrument

Bruker Avance II - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
7	p63 tetramerization domain	natural abundance	0.5 mM
8	p73 tetramerization domain	[U-100% 13C; U-100% 15N]	0.5 mM
9	HEPES	natural abundance	25 mM
10	sodium chloride	natural abundance	50 mM
11	H2O	natural abundance	95 %
12	D2O	natural abundance	5 %

17 3D 1H-13C NOESY aromatic

Instrument

Bruker Avance II - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
1	p63 tetramerization domain	[U-100% 13C; U-100% 15N]	0.5 mM
2	p73 tetramerization domain	natural abundance	0.5 mM
3	HEPES	natural abundance	25 mM
4	sodium chloride	natural abundance	50 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

18 3D 1H-13C NOESY aromatic

Instrument

Bruker Avance II - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
7	p63 tetramerization domain	natural abundance	0.5 mM
8	p73 tetramerization domain	[U-100% 13C; U-100% 15N]	0.5 mM
9	HEPES	natural abundance	25 mM
10	sodium chloride	natural abundance	50 mM
11	H2O	natural abundance	95 %
12	D2O	natural abundance	5 %

19 3D 13C/15N-filtered NOESY-[13C,1H]-HSQC

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
1	p63 tetramerization domain	[U-100% 13C; U-100% 15N]	0.5 mM
2	p73 tetramerization domain	natural abundance	0.5 mM
3	HEPES	natural abundance	25 mM
4	sodium chloride	natural abundance	50 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

20 3D 13C/15N-filtered NOESY-[13C,1H]-HSQC

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
7	p63 tetramerization domain	natural abundance	0.5 mM
8	p73 tetramerization domain	[U-100% 13C; U-100% 15N]	0.5 mM
9	HEPES	natural abundance	25 mM
10	sodium chloride	natural abundance	50 mM
11	H2O	natural abundance	95 %
12	D2O	natural abundance	5 %

21 3D 13C/15N-filtered NOESY-[15N,1H]-TROSY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
1	p63 tetramerization domain	[U-100% 13C; U-100% 15N]	0.5 mM
2	p73 tetramerization domain	natural abundance	0.5 mM
3	HEPES	natural abundance	25 mM
4	sodium chloride	natural abundance	50 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

22 3D 13C/15N-filtered NOESY-[15N,1H]-TROSY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
7	p63 tetramerization domain	natural abundance	0.5 mM
8	p73 tetramerization domain	[U-100% 13C; U-100% 15N]	0.5 mM
9	HEPES	natural abundance	25 mM
10	sodium chloride	natural abundance	50 mM
11	H2O	natural abundance	95 %
12	D2O	natural abundance	5 %

23 3D 1H-13C NOESY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
1	p63 tetramerization domain	[U-100% 13C; U-100% 15N]	0.5 mM
2	p73 tetramerization domain	natural abundance	0.5 mM
3	HEPES	natural abundance	25 mM
4	sodium chloride	natural abundance	50 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

24 3D 1H-13C NOESY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
7	p63 tetramerization domain	natural abundance	0.5 mM
8	p73 tetramerization domain	[U-100% 13C; U-100% 15N]	0.5 mM
9	HEPES	natural abundance	25 mM
10	sodium chloride	natural abundance	50 mM
11	H2O	natural abundance	95 %
12	D2O	natural abundance	5 %

25 2D 1H-13C HSQC

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
1	p63 tetramerization domain	[U-100% 13C; U-100% 15N]	0.5 mM
2	p73 tetramerization domain	natural abundance	0.5 mM
3	HEPES	natural abundance	25 mM
4	sodium chloride	natural abundance	50 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

26 2D 1H-13C HSQC

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
7	p63 tetramerization domain	natural abundance	0.5 mM
8	p73 tetramerization domain	[U-100% 13C; U-100% 15N]	0.5 mM
9	HEPES	natural abundance	25 mM
10	sodium chloride	natural abundance	50 mM
11	H2O	natural abundance	95 %
12	D2O	natural abundance	5 %

27 2D 1H-15N HSQC

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
1	p63 tetramerization domain	[U-100% 13C; U-100% 15N]	0.5 mM
2	p73 tetramerization domain	natural abundance	0.5 mM
3	HEPES	natural abundance	25 mM
4	sodium chloride	natural abundance	50 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

28 2D 1H-15N HSQC

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
7	p63 tetramerization domain	natural abundance	0.5 mM
8	p73 tetramerization domain	[U-100% 13C; U-100% 15N]	0.5 mM
9	HEPES	natural abundance	25 mM
10	sodium chloride	natural abundance	50 mM
11	H2O	natural abundance	95 %
12	D2O	natural abundance	5 %

29 2D 1H-15N HSQC

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
23	p63 tetramerization domain	[U-100% 15N]	0.5 mM
24	p73 tetramerization domain	natural abundance	0.5 mM
25	HEPES	natural abundance	25 mM
26	sodium chloride	natural abundance	50 mM

30 2D 1H-15N HSQC

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
27	p63 tetramerization domain	natural abundance	0.5 mM
28	p73 tetramerization domain	[U-100% 15N]	0.5 mM
29	HEPES	natural abundance	25 mM
30	sodium chloride	natural abundance	50 mM

31 3D lr-HNCO

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
13	p63 tetramerization domain	[U-100% 15N]	0.5 mM
14	p63 tetramerization domain	[U-100% 13C]	0.5 mM
15	p73 tetramerization domain	natural abundance	1 mM
16	HEPES	natural abundance	25 mM
17	sodium chloride	natural abundance	50 mM

32 3D lr-HNCO

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7

#	Name	Isotope labeling	Concentration
18	p63 tetramerization domain	natural abundance	1 mM
19	p73 tetramerization domain	[U-100% 15N]	0.5 mM
20	p73 tetramerization domain	[U-100% 13C]	0.5 mM
21	HEPES	natural abundance	25 mM
22	sodium chloride	natural abundance	50 mM

33 3D lr-HNCO

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 6

#	Name	Isotope labeling	Concentration
31	p63 tetramerization domain	[U-100% 15N]	0.5 mM
32	p63 tetramerization domain	[U-100% 13C]	0.5 mM
33	p73 tetramerization domain	[U-100% 15N]	0.5 mM
34	p73 tetramerization domain	[U-100% 13C]	0.5 mM
35	HEPES	natural abundance	25 mM
36	sodium chloride	natural abundance	50 mM

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_25958_2nb1.nef
Input source #2: Coordindates	2nb1.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Error

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--------10--------20--------30--------40--------50--------60
SDDELLYLPVRGRETYEMLLEIKESLELMQYLPQHTIETYRQQQQQQHQHLLQKQTSIQS
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SDDELLYLPVRGRETYEMLLEIKESLELMQYLPQHTIETYRQQQQQQHQHLLQKQTSIQS

Entity_assembly_ID (NMR): B vs Auth_asym_ID (model): B

-----100-------110-------120-------130-------140--
GSDEDTYYLQVRGRKNFEILMKLKESLELMELVPQPLVDSYRQQQQLLQR
||||||||||||||||||||||||||||||||||||||||||||||||||
GSDEDTYYLQVRGRKNFEILMKLKESLELMELVPQPLVDSYRQQQQLLQR
--------10--------20--------30--------40--------50

Entity_assembly_ID (NMR): C vs Auth_asym_ID (model): C

------1010------1020------1030------1040------1050------1060
SDDELLYLPVRGRETYEMLLEIKESLELMQYLPQHTIETYRQQQQQQHQHLLQKQTSIQS
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SDDELLYLPVRGRETYEMLLEIKESLELMQYLPQHTIETYRQQQQQQHQHLLQKQTSIQS
--------10--------20--------30--------40--------50--------60

Entity_assembly_ID (NMR): D vs Auth_asym_ID (model): D

----1100------1110------1120------1130------1140--
GSDEDTYYLQVRGRKNFEILMKLKESLELMELVPQPLVDSYRQQQQLLQR
||||||||||||||||||||||||||||||||||||||||||||||||||
GSDEDTYYLQVRGRKNFEILMKLKESLELMELVPQPLVDSYRQQQQLLQR
--------10--------20--------30--------40--------50

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Sequence coverage (%)
A	A	60	100.0
B	B	50	100.0
C	C	60	100.0
D	D	50	100.0

Content subtype: combined_25958_2nb1.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1239		100.0 (chain: A, length: 60), 98.0 (chain: B, length: 50)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	Error	4491 (1)	noe	96.7 (chain: A, length: 60), 52.0 (chain: B, length: 50), 46.7 (chain: C, length: 60), 98.0 (chain: D, length: 50)
2	Distance restraints	DYANA/DIANA_distance_constraints_4	Error	440 (1)	hbond	60.0 (chain: A, length: 60), 40.0 (chain: B, length: 50), 30.0 (chain: C, length: 60), 70.0 (chain: D, length: 50)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_3	Error	360 (360)	.	93.3 (chain: A, length: 60), 52.0 (chain: B, length: 50), 43.3 (chain: C, length: 60), 94.0 (chain: D, length: 50)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 60, Sequence coverage: 100.0%
  - Entity_assembly_ID: B, Chain length: 50, Sequence coverage: 98.0%
- Total number of assignments
  - ¹H chemical shifts: 655
  - ¹³C chemical shifts: 475
  - ¹⁵N chemical shifts: 109
- Completeness of assignments
  - Entity_assemble_ID: A
  - Entity_assemble_ID: B
- Peptide bond of PRO
- Tautomeric state of HIS
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A
  - Chain_ID: B

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	402	347	86.3
¹³C chemical shifts	285	256	89.8
¹⁵N chemical shifts	73	58	79.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	119	114	95.8
¹³C chemical shifts	120	115	95.8
¹⁵N chemical shifts	58	55	94.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	283	233	82.3
¹³C chemical shifts	165	141	85.5
¹⁵N chemical shifts	15	3	20.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	34	31	91.2
¹³C chemical shifts	34	28	82.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	22	20	90.9
¹³C chemical shifts	22	11	50.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	338	308	91.1
¹³C chemical shifts	239	219	91.6
¹⁵N chemical shifts	60	51	85.0

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: Error
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 60, Sequence coverage: 96.7%
  - Entity_assembly_ID: B, Chain length: 50, Sequence coverage: 52.0%
  - Entity_assembly_ID: C, Chain length: 60, Sequence coverage: 46.7%
  - Entity_assembly_ID: D, Chain length: 50, Sequence coverage: 98.0%
- Total number of restraints: 4475
- Weight of restraints: 1.0 (4475)
- Potential type of restraints: upper-bound-parabolic (4475)
- Range of distance target values: 3.24, 7.79 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
  - Chain_ID: B
  - Chain_ID: C
  - Chain_ID: D
- Distance restraints on contact map
- Saveframe: DYANA/DIANA_distance_constraints_4
  - Status: Error
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 60, Sequence coverage: 60.0%
    - Entity_assembly_ID: B, Chain length: 50, Sequence coverage: 40.0%
    - Entity_assembly_ID: C, Chain length: 60, Sequence coverage: 30.0%
    - Entity_assembly_ID: D, Chain length: 50, Sequence coverage: 70.0%
  - Total number of restraints: 440
  - Weight of restraints: 1.0 (440)
  - Potential type of restraints: upper-bound-parabolic (440)
  - Range of distance target values: 1.8, 3.2 (Å)
  - Histogram of distance target values
  - Histogram of discrepancy in distance target values
  - Distance restraints per residue
    - Chain_ID: A
    - Chain_ID: B
    - Chain_ID: C
    - Chain_ID: D
  - Distance restraints on contact map

Dihedral angle restraints

Saveframe: DYANA/DIANA_dihedral_3
- Status: Error
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 60, Sequence coverage: 93.3%
  - Entity_assembly_ID: B, Chain length: 50, Sequence coverage: 52.0%
  - Entity_assembly_ID: C, Chain length: 60, Sequence coverage: 43.3%
  - Entity_assembly_ID: D, Chain length: 50, Sequence coverage: 94.0%
- Total number of restraints: 360
- Total number of restraints per polymer type: 360
- Weight of restraints: 1.0 (360)
- Potential type of restraints: square-well-parabolic (360)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A
  - Chain_ID: D

Keywords hetero tetramer, p63, p73, tetramerization domain, transcription factor

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	100	95	95.0
¹³C chemical shifts	100	97	97.0
¹⁵N chemical shifts	48	46	95.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	238	213	89.5
¹³C chemical shifts	139	122	87.8
¹⁵N chemical shifts	12	5	41.7

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BMRB: 25958

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Related entities 1. p63 tetramerization domain, : 6 entities Detail

Related entities 2. p73 tetramerization domain, : 2 : 2 : 3 : 40 entities Detail

Interaction partners 1. p63 tetramerization domain, : 21 interactors Detail

Experiments performed 33 experiments Detail

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