BMRB Entry 15384

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PDB ID: 2jst
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15384
MolProbity Validation Chart

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Title:
Four-Alpha-Helix Bundle with Designed Anesthetic Binding Pockets II: Halothane Effects on Structure and Dynamics
Deposition date:
2007-07-17
Original release date:
2008-03-13
Authors:
Cui, Tanxing; Bondarenko, Vasyl; Ma, Dejian; Canlas, Christian; Brandon, Nicole; Johansson, Jonas; Tang, Pei; Xu, Yan
Citation:

Citation: Ma, Dejian; Brandon, N.; Cui, Tanxing; Bondarenko, Vasyl; Canlas, Christian; Johansson, Jonas; Tang, Pei; Xu, Yan. "Four-alpha-helix bundle with designed anesthetic binding pockets. Part I: structural and dynamical analyses"  Biophys. J. 94, 4454-4463 (2008).
PubMed: 18310240

Assembly members:

Assembly members:
4HB, polymer, 62 residues, 6877.155 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: recombinant technology   Host organism: Escherichia coli   Vector: not applicable

Entity Sequences (FASTA):

Entity Sequences (FASTA):
4HB: MKKLREEAAKLFEEWKKLAE EAAKLLEGGGGGGGGELMKL CEEAAKKAEELFKLAEERLK KL

Data sets:
Data typeCount
13C chemical shifts177
15N chemical shifts61
1H chemical shifts411

Additional metadata:

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Assembly:

Entity Assembly IDEntity NameEntity ID
14HB, 11
24HB, 21
3Halothane2

Entities:

Entity 1, 4HB, 1 62 residues - 6877.155 Da.

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

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

1   HLT

Related Database Links:

BMRB 15021 17056
PDB 2I7U 2JST

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