BMRBj - BMREntryMaster

Found 1 Document (1.627 seconds)

BMRB: 18792

2M03

Solution structure of BCL-xL determined with selective isotope labelling of I,L,V sidechains

Authors

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

Assembly

BCL-xL

Entity

1. BCL-xL (polymer, Thiol state: not present), 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

Formula weight

20780.7 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: 90.6 %, Completeness: 49.3 %, Completeness (bb): 77.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	49.3 % (1039 of 2106)	29.4 % (320 of 1089)	67.4 % (550 of 816)	84.1 % (169 of 201)
Backbone	77.0 % (832 of 1080)	50.9 % (189 of 371)	90.2 % (479 of 531)	92.1 % (164 of 178)
Sidechain	30.0 % (358 of 1195)	18.2 % (131 of 718)	48.9 % (222 of 454)	21.7 % (5 of 23)
Aromatic	8.7 % (21 of 240)	9.2 % (11 of 120)	4.3 % (5 of 115)	100.0 % (5 of 5)
Methyl	78.6 % (132 of 168)	75.0 % (63 of 84)	82.1 % (69 of 84)

1. BCL-xL apo

Show sample condition

Sample

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_apo	[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 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	external	indirect	0.25144
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	[15N] nitromethane	nitrogen	external	direct	1.0

Referencing offset: 0.69 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	external	indirect	0.25144
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	[15N] nitromethane	nitrogen	external	direct	1.0

Referencing offset: 0.69 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	external	indirect	0.25144
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	[15N] nitromethane	nitrogen	external	direct	1.0

Referencing offset: 0.0 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2M03, Strand ID: A 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

Entries sharing articles BMRB: 1, Swiss-Prot: 2 entries Detail

  BMRB: 18793 released on 2012-10-23
    Title Solution structure of BCL-xL in complex with PUMA BH3 peptide
  Swiss-Prot: Q9BXH1 released on 2004-12-21
    Title BBC3_HUMAN Entity Bcl-2-binding component 3
  Swiss-Prot: Q07817 released on 1995-02-01
    Title B2CL1_HUMAN Entity Bcl-2-like protein 1

Related entities 1. BCL-xL, : 1 : 10 : 20 : 114 entities Detail

Interaction partners 1. BCL-xL, : 87 interactors Detail

More details for 87 interactors identified by 36 citations