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BMRB: 26867

5U4K

HADDOCK model of the complex between the KIX domain of CBP and the transactivation domain of p65

Authors

Lecoq, L., Raiola, L., Cyr, N., Chabot, P., Arseneault, G., Omichinski, J.G.

Assembly

HADDOCK model of the complex between the KIX domain of CBP and the transactivation domain of p65

Entity

1. CREB-BINDING PROTEIN (polymer, Thiol state: not present), 87 monomers, 10331.68 Da Detail

GVRKGWHEHV TQDLRSHLVH KLVQAIFPTP DPAALKDRRM ENLVAYAKKV EGDMYESANS RDEYYHLLAE KIYKIQKELE EKRRSRL

2. TRANSCRIPTION FACTOR P65 (polymer, Thiol state: not present), 33 monomers, 3378.588 Da Detail

GSPGYPNGLL SGDEDFSSIA DMDFSALLSQ ISS

Total weight

13710.268 Da

Max. entity weight

10331.68 Da

Source organism

Mus musculus , Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 75.0 %, Completeness: 60.5 %, Completeness (bb): 71.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	60.5 % (853 of 1410)	54.3 % (401 of 739)	66.1 % (362 of 548)	73.2 % (90 of 123)
Backbone	71.8 % (510 of 710)	67.4 % (163 of 242)	74.5 % (263 of 353)	73.0 % (84 of 115)
Sidechain	52.9 % (430 of 813)	47.9 % (238 of 497)	60.4 % (186 of 308)	75.0 % (6 of 8)
Aromatic	5.5 % (6 of 110)	9.1 % (5 of 55)	0.0 % (0 of 54)	100.0 % (1 of 1)
Methyl	69.5 % (82 of 118)	67.8 % (40 of 59)	71.2 % (42 of 59)

1. CREB-BINDING PROTEIN

GVRKGWHEHV TQDLRSHLVH KLVQAIFPTP DPAALKDRRM ENLVAYAKKV EGDMYESANS RDEYYHLLAE KIYKIQKELE EKRRSRL

2. TRANSCRIPTION FACTOR P65

GSPGYPNGLL SGDEDFSSIA DMDFSALLSQ ISS

Show sample condition

Sample #1

Solvent system 10% water/90% D2O, Pressure 1.000 atm, Temperature 300.000 K, pH 6.500, Details 13C-15N KIX 0.8 mM / unlabeled p65 1.6 mM

#	Name	Isotope labeling	Type	Concentration
1	CREB-BINDING PROTEIN	[U-13C; U-15N]		0.8 mM
2	TRANSCRIPTION FACTOR P65	natural abundance		1.6 mM

Sample #2

Solvent system 100% D2O, Pressure 1.000 atm, Temperature 300.000 K, pH 6.500, Details 13C-15N KIX 0.8 mM / unlabeled p65 1.6 mM

#	Name	Isotope labeling	Type	Concentration
3	CREB-BINDING PROTEIN	[U-13C; U-15N]		0.8 mM
4	TRANSCRIPTION FACTOR P65	natural abundance		1.6 mM

Sample #3

Solvent system 10% water/90% D2O, Pressure 1.000 atm, Temperature 300.000 K, pH 6.500, Details 13C-15N p65 0.7 mM / unlabeled KIX 1.4 mM

#	Name	Isotope labeling	Type	Concentration
5	CREB-BINDING PROTEIN	natural abundance		1.4 mM
6	TRANSCRIPTION FACTOR P65	[U-13C; U-15N]		0.7 mM

Sample #4

Solvent system 100% D2O, Pressure 1.000 atm, Temperature 300.000 K, pH 6.500, Details 13C-15N p65 0.7 mM / unlabeled KIX 1.4 mM

#	Name	Isotope labeling	Type	Concentration
7	CREB-BINDING PROTEIN	natural abundance		1.4 mM
8	TRANSCRIPTION FACTOR P65	[U-13C; U-15N]		0.7 mM

Chem. Shift Complete2

Sequence coverage: 39.2 %, Completeness: 45.1 %, Completeness (bb): 53.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	45.1 % (1273 of 2820)	41.8 % (618 of 1478)	47.7 % (523 of 1096)	53.7 % (132 of 246)
Backbone	53.0 % (752 of 1420)	51.2 % (248 of 484)	53.8 % (380 of 706)	53.9 % (124 of 230)
Sidechain	39.9 % (648 of 1626)	37.2 % (370 of 994)	43.8 % (270 of 616)	50.0 % (8 of 16)
Aromatic	12.3 % (27 of 220)	14.5 % (16 of 110)	9.3 % (10 of 108)	50.0 % (1 of 2)
Methyl	48.7 % (115 of 236)	49.2 % (58 of 118)	48.3 % (57 of 118)

1. CREB-BINDING PROTEIN

GVRKGWHEHV TQDLRSHLVH KLVQAIFPTP DPAALKDRRM ENLVAYAKKV EGDMYESANS RDEYYHLLAE KIYKIQKELE EKRRSRL

2. TRANSCRIPTION FACTOR P65

GSPGYPNGLL SGDEDFSSIA DMDFSALLSQ ISS

Show sample condition

Sample #1

Solvent system 10% water/90% D2O, Pressure 1.000 atm, Temperature 300.000 K, pH 6.500, Details 13C-15N KIX 0.8 mM / unlabeled p65 1.6 mM

#	Name	Isotope labeling	Type	Concentration
1	CREB-BINDING PROTEIN	[U-13C; U-15N]		0.8 mM
2	TRANSCRIPTION FACTOR P65	natural abundance		1.6 mM

Sample #2

Solvent system 100% D2O, Pressure 1.000 atm, Temperature 300.000 K, pH 6.500, Details 13C-15N KIX 0.8 mM / unlabeled p65 1.6 mM

#	Name	Isotope labeling	Type	Concentration
3	CREB-BINDING PROTEIN	[U-13C; U-15N]		0.8 mM
4	TRANSCRIPTION FACTOR P65	natural abundance		1.6 mM

Sample #3

Solvent system 10% water/90% D2O, Pressure 1.000 atm, Temperature 300.000 K, pH 6.500, Details 13C-15N p65 0.7 mM / unlabeled KIX 1.4 mM

#	Name	Isotope labeling	Type	Concentration
5	CREB-BINDING PROTEIN	natural abundance		1.4 mM
6	TRANSCRIPTION FACTOR P65	[U-13C; U-15N]		0.7 mM

Sample #4

Solvent system 100% D2O, Pressure 1.000 atm, Temperature 300.000 K, pH 6.500, Details 13C-15N p65 0.7 mM / unlabeled KIX 1.4 mM

#	Name	Isotope labeling	Type	Concentration
7	CREB-BINDING PROTEIN	natural abundance		1.4 mM
8	TRANSCRIPTION FACTOR P65	[U-13C; U-15N]		0.7 mM

LACS Plot; CA

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

Referencing offset: -0.35 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.35 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: 0.03 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.17 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 5U4K, Strand ID: A, B Detail

Release date

2016-08-03

Citation

Structural characterization of interactions between transactivation domain 1 of the p65 subunit of NF-κB and transcription regulatory factors
Lecoq, L., Raiola, L., Chabot, P.R., Cyr, N., Arseneault, G., Legault, P., Omichinski, J.G.
Nucleic Acids Res. (2017), 45, 5564-5576, PubMed 28334776 , DOI 10.1093/nar/gkx146 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 30243 released on 2017-02-21
Title NMR structure of the complex between the PH domain of the Tfb1 subunit from TFIIH and the transactivation domain 1 of p65

Related entities 1. CREB-BINDING PROTEIN, : 6 : 23 entities Detail

Related entities 2. TRANSCRIPTION FACTOR P65, : 4 entities Detail

Interaction partners 1. CREB-BINDING PROTEIN, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 14 experiments Detail

1 1H-15N HSQC