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BMRB: 18250

2LPC

NMR STRUCTURE of Bcl-XL

Authors

Wysoczanski, P., Mart, R.J., Loveridge, J.E., Williams, C., Whittaker, S.B.-M., Crump, M.P., Allemann, R.K.

Assembly

Bcl-XL

Entity

1. Bcl-XL (polymer, Thiol state: all free), 185 monomers, 21425.26 Da Detail

MSQSNRELVV DFLSYKLSQK GYSWSQFSDV EENRTEAPEG TESEAVKQAL REAGDEFELR YRRAFSDLTS QLHITPGTAY QSFEQVVNEL FRDGVNWGRI VAFFSFGGAL CVESVDKEMQ VLVSRIAAWM ATYLNDHLEP WIQENGGWDT FVELYGNNAA AESRKGQERL EHHHHHHLEH HHHHH

Formula weight

21425.26 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 93.0 %, Completeness: 86.0 %, Completeness (bb): 90.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	86.0 % (1860 of 2162)	84.4 % (943 of 1117)	87.0 % (731 of 840)	90.7 % (186 of 205)
Backbone	90.6 % (1000 of 1104)	88.9 % (337 of 379)	91.9 % (499 of 543)	90.1 % (164 of 182)
Sidechain	82.8 % (1019 of 1231)	82.1 % (606 of 738)	83.2 % (391 of 470)	95.7 % (22 of 23)
Aromatic	64.0 % (169 of 264)	64.4 % (85 of 132)	62.2 % (79 of 127)	100.0 % (5 of 5)
Methyl	94.7 % (161 of 170)	94.1 % (80 of 85)	95.3 % (81 of 85)

1. BCL-XL

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.3

#	Name	Isotope labeling	Concentration
1	BCL-XL	[U-98% 13C; U-98% 15N]	1.5 ~ 1.7 mM
2	sodium phosphate	natural abundance	5 mM
3	2-mercaptoethanol	natural abundance	5 mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.17 ppm, Outliers: 4 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.17 ppm, Outliers: 4 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.02 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.26 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 21 models in PDB: 2LPC, Strand ID: A Detail

Release date

2012-03-11

Citation

NMR solution structure of a photoswitchable apoptosis activating Bak peptide bound to Bcl-xL
Wysoczanski, P., Mart, R.J., Loveridge, E., Williams, C., Whittaker, S., Crump, M.P., Allemann, R.K.
J. Am. Chem. Soc. (2012), 134, 7644-7647, PubMed 22515821 , DOI 10.1021/ja302390a , Abstract

Related entities 1. Bcl-XL, : 1 : 1 : 29 : 105 entities Detail

Interaction partners 1. Bcl-XL, : 87 interactors Detail

More details for 87 interactors identified by 36 citations

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC