BMRB Entry 17056
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17056
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Title: Four-alpha-Helix Bundle with Designed Anesthetic Binding Pockets. Part II: Halothane Effects on Structure and Dynamics PubMed: 18310239
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: 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).
Assembly members:
Aa2, polymer, 62 residues, 197.382 Da.
HLT, non-polymer, 197.382 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Aa2: MKKLREEAAKLFEEWKKLAE
EAAKLLEGGGGGGGGELMKL
CEEAAKKAEELFKLAEERLK
KL
- binding_constants
| Data type | Count |
| binding constants | 1 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Aa2 | 1 |
| 2 | HLT | 2 |
Entities:
Entity 1, Aa2 62 residues - 197.382 Da.
| 1 | MET | LYS | LYS | LEU | ARG | GLU | GLU | ALA | ALA | LYS | ||||
| 2 | LEU | PHE | GLU | GLU | TRP | LYS | LYS | LEU | ALA | GLU | ||||
| 3 | GLU | ALA | ALA | LYS | LEU | LEU | GLU | GLY | GLY | GLY | ||||
| 4 | GLY | GLY | GLY | GLY | GLY | GLU | LEU | MET | LYS | LEU | ||||
| 5 | CYS | GLU | GLU | ALA | ALA | LYS | LYS | ALA | GLU | GLU | ||||
| 6 | LEU | PHE | LYS | LEU | ALA | GLU | GLU | ARG | LEU | LYS | ||||
| 7 | LYS | LEU |
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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
QSiteFinder, Laurie, A. T., and R. M. Jackson. 2005 - binding site examination
NMR spectrometers:
- Bruker Avance 600 MHz