BMRB Entry 17056

Title:
Four-alpha-Helix Bundle with Designed Anesthetic Binding Pockets. Part II: Halothane Effects on Structure and Dynamics
Deposition date:
2010-07-13
Original release date:
2010-09-08
Authors:
Cui, Tanxing; Bondarenko, Vasyl; Ma, Dejian; Canlas, Christian; Brandon, Nicole; Johansson, Jonas; Xu, Yan; Tang, Pei
Citation:

Citation: Cui, Tanxing; Bondarenko, Vasyl; Ma, Dejian; Canlas, Christian; Brandon, Nicole; Johansson, Jonas; Xu, Yan; Tang, Pei. "Four-alpha-Helix Bundle with Designed Anesthetic Binding Pockets. Part II: Halothane Effects on Structure and Dynamics"  Biophys. J. 94, 4464-4472 (2008).
PubMed: 18310239

Assembly members:

Assembly members:
Aa2, polymer, 62 residues, 197.382 Da.
HLT, non-polymer, 197.382 Da.

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Data sets:
  • binding_constants
Data typeCount
binding constants1

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1Aa21
2HLT2

Entities:

Entity 1, Aa2 62 residues - 197.382 Da.

1   METLYSLYSLEUARGGLUGLUALAALALYS
2   LEUPHEGLUGLUTRPLYSLYSLEUALAGLU
3   GLUALAALALYSLEULEUGLUGLYGLYGLY
4   GLYGLYGLYGLYGLYGLULEUMETLYSLEU
5   CYSGLUGLUALAALALYSLYSALAGLUGLU
6   LEUPHELYSLEUALAGLUGLUARGLEULYS
7   LYSLEU

Entity 2, HLT - C2 H Br Cl F3 - 197.382 Da.

1   HLT

Samples:

sample_1: Aa2 500 uM; DSS 0.4%; sodium azide 0.02%; HLT0 – 2.2 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: .; pressure: 1 atm; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

QSiteFinder, Laurie, A. T., and R. M. Jackson. 2005 - binding site examination

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

BMRB 15021 15384
PDB