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BMRB: 16574

2KPZ

HUMAN NEDD4 3RD WW DOMAIN COMPLEX WITH THE HUMAN T-CELL LEUKEMIA VIRUS 1 GAG-PRO POLIPROTEIN DERIVED PEPTIDE SDPQIPPPYVEP

Authors

Iglesias-Bexiga, M., Luque, I., Macias, M.J., Blanco, F.J., Cobos, E.S., Bonet, R.

Assembly

NEDD4 3RD WW DOMAIN/HUMAN T-CELL LEUKEMIA VIRUS complex

Entity

1. PROTEIN (polymer, Thiol state: not present), 49 monomers, 5568.197 Da Detail

GAMGPSEIEQ GFLPKGWEVR HAPNGRPFFI DHNTKTTTWE DPRLKIPAH

2. PEPTIDE (polymer, Thiol state: not present), 12 monomers, 1338.459 Da Detail

SDPQIPPPYV EP

Total weight

6906.656 Da

Max. entity weight

5568.197 Da

Source organism

Exptl. method

Refine. method

DGSA-distance geometry simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 75.4 %, Completeness: 64.3 %, Completeness (bb): 63.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	64.3 % (466 of 725)	74.7 % (287 of 384)	47.0 % (134 of 285)	80.4 % (45 of 56)
Backbone	63.4 % (218 of 344)	76.7 % (89 of 116)	50.0 % (89 of 178)	80.0 % (40 of 50)
Sidechain	66.1 % (289 of 437)	73.9 % (198 of 268)	52.8 % (86 of 163)	83.3 % (5 of 6)
Aromatic	41.9 % (31 of 74)	78.4 % (29 of 37)	0.0 % (0 of 35)	100.0 % (2 of 2)
Methyl	69.6 % (32 of 46)	78.3 % (18 of 23)	60.9 % (14 of 23)

1. PROTEIN

GAMGPSEIEQ GFLPKGWEVR HAPNGRPFFI DHNTKTTTWE DPRLKIPAH

2. PEPTIDE

SDPQIPPPYV EP

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 288 K, pH 7.00

#	Name	Isotope labeling	Type	Concentration
1	PROTEIN	[U-100% 15N]		1 mM
2	PEPTIDE	natural abundance		3 mM
3	sodium phosphate	natural abundance		20 mM
4	sodium azide	natural abundance		0.02 v/v
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 288 K, pH 7.00

#	Name	Isotope labeling	Type	Concentration
7	PROTEIN	[U-100% 13C; U-100% 15N]		1 mM
8	PEPTIDE	natural abundance		3 mM
9	sodium phosphate	natural abundance		20 mM
10	sodium azide	natural abundance		0.02 v/v
11	H2O	natural abundance		90 %
12	D2O	natural abundance		10 %

Protein Blocks Logo

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

Release date

2015-06-18

Citation

HUMAN NEDD4 3RD WW DOMAIN COMPLEX WITH HUMAN T-CELL LEUKEMIA VIRUS GAP-PRO POLIPROTEIN DERIVED PEPTIDE
Iglesias-Bexiga, M., Luque, I., Macias, M.
Not known

Related entities 1. PROTEIN, : 2 : 86 entities Detail

Related entities 2. PEPTIDE, : 1 : 10 : 1 entities Detail

Interaction partners 1. PROTEIN, : 45 interactors Detail

More details for 45 interactors identified by 20 citations

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 288 K, pH 7.00

#	Name	Isotope labeling	Type	Concentration
1	PROTEIN	[U-100% 15N]		1 mM
2	PEPTIDE	natural abundance		3 mM
3	sodium phosphate	natural abundance		20 mM
4	sodium azide	natural abundance		0.02 v/v
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

2 2D 1H-1H TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 288 K, pH 7.00

#	Name	Isotope labeling	Type	Concentration
1	PROTEIN	[U-100% 15N]		1 mM
2	PEPTIDE	natural abundance		3 mM
3	sodium phosphate	natural abundance		20 mM
4	sodium azide	natural abundance		0.02 v/v
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

3 2D 1H-1H NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 288 K, pH 7.00

#	Name	Isotope labeling	Type	Concentration
1	PROTEIN	[U-100% 15N]		1 mM
2	PEPTIDE	natural abundance		3 mM
3	sodium phosphate	natural abundance		20 mM
4	sodium azide	natural abundance		0.02 v/v
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

4 3D CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 288 K, pH 7.00

#	Name	Isotope labeling	Type	Concentration
7	PROTEIN	[U-100% 13C; U-100% 15N]		1 mM
8	PEPTIDE	natural abundance		3 mM
9	sodium phosphate	natural abundance		20 mM
10	sodium azide	natural abundance		0.02 v/v
11	H2O	natural abundance		90 %
12	D2O	natural abundance		10 %

5 3D HNCACB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 288 K, pH 7.00

#	Name	Isotope labeling	Type	Concentration
7	PROTEIN	[U-100% 13C; U-100% 15N]		1 mM
8	PEPTIDE	natural abundance		3 mM
9	sodium phosphate	natural abundance		20 mM
10	sodium azide	natural abundance		0.02 v/v
11	H2O	natural abundance		90 %
12	D2O	natural abundance		10 %

6 3D HCCH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 288 K, pH 7.00

#	Name	Isotope labeling	Type	Concentration
7	PROTEIN	[U-100% 13C; U-100% 15N]		1 mM
8	PEPTIDE	natural abundance		3 mM
9	sodium phosphate	natural abundance		20 mM
10	sodium azide	natural abundance		0.02 v/v
11	H2O	natural abundance		90 %
12	D2O	natural abundance		10 %

7 3D 1H-15N NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 288 K, pH 7.00

#	Name	Isotope labeling	Type	Concentration
1	PROTEIN	[U-100% 15N]		1 mM
2	PEPTIDE	natural abundance		3 mM
3	sodium phosphate	natural abundance		20 mM
4	sodium azide	natural abundance		0.02 v/v
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

8 3D 1H-13C NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 288 K, pH 7.00

#	Name	Isotope labeling	Type	Concentration
7	PROTEIN	[U-100% 13C; U-100% 15N]		1 mM
8	PEPTIDE	natural abundance		3 mM
9	sodium phosphate	natural abundance		20 mM
10	sodium azide	natural abundance		0.02 v/v
11	H2O	natural abundance		90 %
12	D2O	natural abundance		10 %

9 3D 1H-15N TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 288 K, pH 7.00

#	Name	Isotope labeling	Type	Concentration
1	PROTEIN	[U-100% 15N]		1 mM
2	PEPTIDE	natural abundance		3 mM
3	sodium phosphate	natural abundance		20 mM
4	sodium azide	natural abundance		0.02 v/v
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

nullKeywords COMPLEX, HTLV1, HUMAN MODULAR DOMAIN, NEDD4, WW DOMAIN