BMRBj - BMREntryMaster

Found 1 Document (1.182 seconds)

BMRB: 18793

2M04

Solution structure of BCL-xL in complex with PUMA BH3 peptide

Authors

Viacava Follis, A., Royappa, G., Kriwacki, R.W.

Assembly

BCL-xL in complex with PUMA BH3 peptide

Entity

1. BCL-xL comp (polymer), 180 monomers, 20649.51 Da Detail

MSAMSQSNRE LVVDFLSYKL SQKGYSWSQF SDVEENRTEA PEGTESEAVK QALREAGDEF ELRYRRAFSD LTSQLHITPG TAYQSFEQVV NELFRDGVNW GRIVAFFSFG GALCVESVDK EMQVLVSRIA AWMATYLNDH LEPWIQENGG WDTFVELYGN NAAAESRKGQ ERLEHHHHHH

2. PUMA BH3 (polymer, Thiol state: not present), 25 monomers, 3049.293 Da Detail

EEQWAREIGA QLRRMADDLN AQYER

Total weight

23698.803 Da

Max. entity weight

20649.51 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle simulated annealing, molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.6 %, Completeness: 48.2 %, Completeness (bb): 73.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	48.2 % (1152 of 2391)	33.7 % (418 of 1241)	60.5 % (557 of 920)	77.0 % (177 of 230)
Backbone	73.4 % (899 of 1224)	54.8 % (230 of 420)	82.7 % (498 of 602)	84.7 % (171 of 202)
Sidechain	30.1 % (409 of 1359)	22.9 % (188 of 821)	42.2 % (215 of 510)	21.4 % (6 of 28)
Aromatic	7.7 % (20 of 260)	11.5 % (15 of 130)	0.0 % (0 of 124)	83.3 % (5 of 6)
Methyl	71.8 % (135 of 188)	71.3 % (67 of 94)	72.3 % (68 of 94)

1. BCL-xL comp

MSAMSQSNRE LVVDFLSYKL SQKGYSWSQF SDVEENRTEA PEGTESEAVK QALREAGDEF ELRYRRAFSD LTSQLHITPG TAYQSFEQVV NELFRDGVNW GRIVAFFSFG GALCVESVDK EMQVLVSRIA AWMATYLNDH LEPWIQENGG WDTFVELYGN NAAAESRKGQ ERLEHHHHHH

2. PUMA BH3

EEQWAREIGA QLRRMADDLN AQYER

Show sample condition

Sample #1

Solvent system 92% H2O/8% D2O, Pressure 1 atm, Temperature 273 K, pH 7.0 (±0.05), Details 10 mM Na phosphate 40 mM NaCl 0.1% NaN3 pH 7.0

#	Name	Isotope labeling	Concentration
1	BCL-xL_comp	[U-100% 13C; U-100% 15N; U-95% 2H; Ile,Leu,Val C1H3]	0.9 mM
2	sodium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	40 mM
4	NaN3	natural abundance	0.1 %
5	H2O	natural abundance	92 %
6	D2O	natural abundance	8 %
7	PUMA BH3	natural abundance	0.9 mM

Sample #2

Solvent system 92% H2O/8% D2O, Pressure 1 atm, Temperature 273 K, pH 7.0 (±0.05), Details 10 mM Na phosphate 40 mM NaCl 0.1% NaN3 pH 7.0

#	Name	Isotope labeling	Concentration
8	BCL-xL	[U-100% 13C; U-100% 15N]	0.9 mM
9	sodium phosphate	natural abundance	10 mM
10	sodium chloride	natural abundance	40 mM
11	NaN3	natural abundance	0.1 %
12	H2O	natural abundance	92 %
13	D2O	natural abundance	8 %
14	PUMA BH3	natural abundance	0.9 mM

Protein Blocks Logo

Calculated from 20 models in PDB: 2M04, Strand ID: A, B Detail

Release date

2012-10-23

Citation

PUMA binding induces partial unfolding within BCL-xL to disrupt p53 binding and promote apoptosis
Follis, A., Chipuk, J.E., Fisher, J.C., Yun, M., Grace, C.R., Nourse, A., Baran, K., Ou, L., Min, L., White, S.W., Green, D.R., Kriwacki, R.W.
Nat. Chem. Biol. (2013), 9, 163-168, PubMed 23340338 , DOI 10.1038/nchembio.1166 , Abstract

Related entities 1. BCL-xL comp, : 20 entities Detail

Related entities 2. PUMA BH3, : 1 : 6 : 6 : 1 : 7 entities Detail

Interaction partners 2. PUMA BH3, : 10 interactors Detail

More details for 10 interactors identified by 5 citations