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BMRB: 19520

2ME8

Solution Structure of BCL-xL in its p53-bound conformation determined with selective isotope labelling of I,L,V sidechains

Authors

Viacava Follis, A., Grace, C.R., Kriwacki, R.W.

Assembly

BCL-xL in its p53-bound conformation

Entity

1. BCL-xL in its p53-bound conformation (polymer), 212 monomers, 23647.74 Da Detail

GHSMSQSNRE LVVDFLSYKL SQKGYSWSQF SDVEENRTEA PEGTESEMET PSAINGNPSW HLADSPAVNG ATGHSSSLDA REVIPMAAVK QALREAGDEF ELRYRRAFSD LTSQLHITPG TAYQSFEQVV NELFRDGVNW GRIVAFFSFG GALCVESVDK EMQVLVSRIA AWMATYLNDH LEPWIQENGG WDTFVELYGN NAAAESRKGQ ER

Formula weight

23647.74 Da

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.2 %, Completeness: 51.8 %, Completeness (bb): 81.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	51.8 % (1244 of 2402)	29.8 % (370 of 1240)	71.4 % (664 of 930)	90.5 % (210 of 232)
Backbone	81.2 % (1022 of 1258)	53.8 % (233 of 433)	94.5 % (586 of 620)	99.0 % (203 of 205)
Sidechain	30.7 % (411 of 1340)	17.0 % (137 of 807)	52.8 % (267 of 506)	25.9 % (7 of 27)
Aromatic	5.8 % (14 of 240)	6.7 % (8 of 120)	0.0 % (0 of 114)	100.0 % (6 of 6)
Methyl	76.7 % (155 of 202)	68.3 % (69 of 101)	85.1 % (86 of 101)

1. BCL-xL

Show sample condition

Sample

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0 (±0.1), Details 10 mM Na phosphate; 40 mM NaCl; 5 mM DTT; 0.01% NaN3; pH 7.0

#	Name	Isotope labeling	Concentration
1	BCL-xL	[U- 98% 13C; U- 98% 15N; U- 98% 2H; U- I,LV CH3 1H]	0.6 mM
2	p53	natural abundance	0.65 mM
3	sodium phosphate	natural abundance	10 mM
4	sodium chloride	natural abundance	40 mM
5	DTT	natural abundance	5 mM
6	NaN3	natural abundance	0.01 %
7	H2O	natural abundance	93 %
8	D2O	natural abundance	7 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	external	indirect	0.25145
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	methyl protons	external	indirect	0.10133

Referencing offset: 1.07 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	external	indirect	0.25145
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	methyl protons	external	indirect	0.10133

Referencing offset: 1.07 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	external	indirect	0.25145
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	methyl protons	external	indirect	0.10133

Referencing offset: 0.23 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2ME8, Strand ID: A Detail

Release date

2014-04-27

Citation

The DNA Binding Domain is a Promiscuous Interaction Hub that Mediates the Nuclear and Cytoplasmic Functions of p53
Viacava Follis, A., Ou, L., Llambi, F., Green, D.R., Kriwacki, R.W.
Nat. Struct. Biol.

Related entities 1. BCL-xL in its p53-bound conformation, : 1 : 2 : 12 : 113 entities Detail

Interaction partners 1. BCL-xL in its p53-bound conformation, : 87 interactors Detail

More details for 87 interactors identified by 36 citations

Experiments performed 6 experiments Detail

1 2D 1H-15N HSQC