BMRBj - BMREntryMaster

Found 1 Document (1.229 seconds)

BMRB: 36133

6IJQ

Solution structure of BCL-XL bound to P73-TAD peptide

Authors

Yoon, M., Ha, J., Lee, M., Chi, S.

Assembly

peptide from p73 tumor suppressor, Bcl-2-like protein 1

Entity

1. peptide from p73 tumor suppressor, Bcl-2-like protein 1, entity 1 (polymer, Thiol state: not present), 16 monomers, 1790.837 Da Detail

DGGTTFEHLW SSLEPD

2. peptide from p73 tumor suppressor, Bcl-2-like protein 1, entity 2 (polymer, Thiol state: all free), 181 monomers, 20780.70 Da Detail

MSMAMSQSNR ELVVDFLSYK LSQKGYSWSQ FSDVEENRTE APEGTESEAV KQALREAGDE FELRYRRAFS DLTSQLHITP GTAYQSFEQV VNELFRDGVN WGRIVAFFSF GGALCVESVD KEMQVLVSRI AAWMATYLND HLEPWIQENG GWDTFVELYG NNAAAESRKG QERLEHHHHH H

Total weight

22571.537 Da

Max. entity weight

20780.7 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealingsimulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.9 %, Completeness: 63.5 %, Completeness (bb): 75.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	63.5 % (1447 of 2280)	70.3 % (828 of 1177)	51.0 % (452 of 886)	77.0 % (167 of 217)
Backbone	75.6 % (887 of 1174)	93.6 % (378 of 404)	59.6 % (344 of 577)	85.5 % (165 of 193)
Sidechain	55.0 % (709 of 1289)	58.2 % (450 of 773)	52.2 % (257 of 492)	8.3 % (2 of 24)
Aromatic	15.8 % (42 of 266)	24.8 % (33 of 133)	6.3 % (8 of 127)	16.7 % (1 of 6)
Methyl	90.0 % (162 of 180)	96.7 % (87 of 90)	83.3 % (75 of 90)

1. entity 1

DGGTTFEHLW SSLEPD

2. entity 2

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1 mM [U-13C; U-15[U-13C; U-15N]N] Bcl-xL, 2 mM p73 peptide, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Bcl-XL	[U-13C; U-15N]	protein	1 mM
2	p73 peptide	natural abundance	protein	2 mM
3	H2O	natural abundance	solvent	90 %
4	D2O	[U-2H]	solvent	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.1 mM Bcl-XL, 1 mM p73 peptide, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
5	p73 peptide	natural abundance	protein	1 mM
6	Bcl-XL	natural abundance	protein	0.1 mM
7	H2O	natural abundance	solvent	90 %
8	D2O	[U-2H]	solvent	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	40.66 ppm	external	indirect	0.2514495
¹H	DSS	methyl protons	4.72 ppm	external	direct	1.0
¹⁵N	DSS	methyl protons	118.07 ppm	external	indirect	0.1013291

Referencing offset: 0.14 ppm, Outliers: 4 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	40.66 ppm	external	indirect	0.2514495
¹H	DSS	methyl protons	4.72 ppm	external	direct	1.0
¹⁵N	DSS	methyl protons	118.07 ppm	external	indirect	0.1013291

Referencing offset: 0.14 ppm, Outliers: 4 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	40.66 ppm	external	indirect	0.2514495
¹H	DSS	methyl protons	4.72 ppm	external	direct	1.0
¹⁵N	DSS	methyl protons	118.07 ppm	external	indirect	0.1013291

Referencing offset: 0.1 ppm, Outliers: 5 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 6IJQ, Strand ID: A, B Detail

Release date

2018-11-14

Citation

Cytoplasmic pro-apoptotic function of the tumor suppressor p73 is mediated through a modified mode of recognition of the anti-apoptotic regulator Bcl-X_L
Yoon, M.-K, M., Kim, B.-Y, B., Lee, J.-Y, J., Ha, J.-H, J., Kim, S.A., Lee, D.-H, D., Lee, M.-S, M., Lee, M.-K, M., Choi, J.S., Cho, J.H., Kim, J.-H, J., Kim, S., Song, J., Park, S.G., Park, B.C., Bae, K.-H, K., Choi, S.U., Chi, S.-W, S.
J. Biol. Chem. (2018), 293, 19546-19558, PubMed 30429221 , DOI 10.1074/jbc.RA118.003061 , Abstract

Related entities 1. peptide from p73 tumor suppressor, Bcl-2-like protein 1, entity 1, : 1 : 5 : 2 entities Detail

Related entities 2. peptide from p73 tumor suppressor, Bcl-2-like protein 1, entity 2, : 20 entities Detail

Interaction partners 1. peptide from p73 tumor suppressor, Bcl-2-like protein 1, entity 1, : 2 interactors Detail

More details for 2 interactors identified by 2 citations

Experiments performed 7 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AvanceII - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1 mM [U-13C; U-15[U-13C; U-15N]N] Bcl-xL, 2 mM p73 peptide, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Bcl-XL	[U-13C; U-15N]	protein	1 mM
2	p73 peptide	natural abundance	protein	2 mM
3	H2O	natural abundance	solvent	90 %
4	D2O	[U-2H]	solvent	10 %

2 3D HNCACB

Instrument

Bruker AvanceII - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1 mM [U-13C; U-15[U-13C; U-15N]N] Bcl-xL, 2 mM p73 peptide, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Bcl-XL	[U-13C; U-15N]	protein	1 mM
2	p73 peptide	natural abundance	protein	2 mM
3	H2O	natural abundance	solvent	90 %
4	D2O	[U-2H]	solvent	10 %

3 3D CBCA(CO)NH

Instrument

Bruker AvanceII - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1 mM [U-13C; U-15[U-13C; U-15N]N] Bcl-xL, 2 mM p73 peptide, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Bcl-XL	[U-13C; U-15N]	protein	1 mM
2	p73 peptide	natural abundance	protein	2 mM
3	H2O	natural abundance	solvent	90 %
4	D2O	[U-2H]	solvent	10 %

4 3D HCCH-TOCSY

Instrument

Bruker AvanceII - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1 mM [U-13C; U-15[U-13C; U-15N]N] Bcl-xL, 2 mM p73 peptide, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Bcl-XL	[U-13C; U-15N]	protein	1 mM
2	p73 peptide	natural abundance	protein	2 mM
3	H2O	natural abundance	solvent	90 %
4	D2O	[U-2H]	solvent	10 %

5 3D 13C/15N-edited NOESY-HSQC

Instrument

Bruker AvanceII - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1 mM [U-13C; U-15[U-13C; U-15N]N] Bcl-xL, 2 mM p73 peptide, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Bcl-XL	[U-13C; U-15N]	protein	1 mM
2	p73 peptide	natural abundance	protein	2 mM
3	H2O	natural abundance	solvent	90 %
4	D2O	[U-2H]	solvent	10 %

6 2D transferred NOESY

Instrument

Bruker AvanceII - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.1 mM Bcl-XL, 1 mM p73 peptide, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
5	p73 peptide	natural abundance	protein	1 mM
6	Bcl-XL	natural abundance	protein	0.1 mM
7	H2O	natural abundance	solvent	90 %
8	D2O	[U-2H]	solvent	10 %

7 15N/13C-edited, 15N/13C-filtered 3D NOESY

Instrument

Bruker AvanceII - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1 mM [U-13C; U-15[U-13C; U-15N]N] Bcl-xL, 2 mM p73 peptide, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Bcl-XL	[U-13C; U-15N]	protein	1 mM
2	p73 peptide	natural abundance	protein	2 mM
3	H2O	natural abundance	solvent	90 %
4	D2O	[U-2H]	solvent	10 %

nullKeywords Apoptosis, complex structure

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Found 1 Document (1.229 seconds)

BMRB: 36133

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. peptide from p73 tumor suppressor, Bcl-2-like protein 1, entity 1, : 1 : 5 : 2 entities Detail

Related entities 2. peptide from p73 tumor suppressor, Bcl-2-like protein 1, entity 2, : 20 entities Detail

Interaction partners 1. peptide from p73 tumor suppressor, Bcl-2-like protein 1, entity 1, : 2 interactors Detail

Experiments performed 7 experiments Detail

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