BMRB Entry 15021

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15021
MolProbity Validation Chart

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Title:
Structural and Dynamical Analysis of a Four-Alpha-Helix Bundle with Designed Anesthetic Binding Pockets
Deposition date:
2006-11-10
Original release date:
2008-06-24
Authors:
Ma, D.; Brandon, N.; Cui, T.; Bondarenko, V.; Canlas, C.; Johansson, J.; Tang, P.; Xu, Y.
Citation:

Citation: Ma, D.; Brandon, N.; Cui, T.; Bondarenko, V.; Canlas, C.; Johansson, J.; Tang, P.; Xu, Y.. "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:
Four-alpha-helix_bundle, polymer, 62 residues, Formula weight is not available

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: pET-11a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Four-alpha-helix_bundle: MKKLREEAAKLFEEWKKLAE EAAKLLEGGGGGGGGELMKL CEEAAKKAEELFKLAEERLK KL

Data sets:
Data typeCount
13C chemical shifts206
15N chemical shifts61
1H chemical shifts426

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1subunit 11

Entities:

Entity 1, subunit 1 62 residues - Formula weight is not available

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

Samples:

sample: Four-alpha-helix bundle, [U-100% 13C; U-100% 15N], 0.5 mM; DSS 0.2 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0 mM; pH: 4.5; pressure: 1 atm; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
3D_15N-separated_NOESYsampleisotropicsample_conditions_1
3D_13C-separated_NOESYsampleisotropicsample_conditions_1
HNCOsampleisotropicsample_conditions_1
CBCACONHsampleisotropicsample_conditions_1
HNCACBsampleisotropicsample_conditions_1
2D NOESYsampleisotropicsample_conditions_1
HSQCsampleisotropicsample_conditions_1
HNCAsampleisotropicsample_conditions_1
HNCOCAsampleisotropicsample_conditions_1
HBHA(CO)NHsampleisotropicsample_conditions_1
HBHANHsampleisotropicsample_conditions_1
R1 Relaxationsampleisotropicsample_conditions_1
R2 Relaxationsampleisotropicsample_conditions_1
Heteronuclear NOEsampleisotropicsample_conditions_1

Software:

TOPSPIN v1.3, Bruker - collection

NMRPipe v2.4 Rev 2006.095.11.35, Delaglio, F. - processing

SPARKY v3.110, Goddard, TD; Kneller, DG - data analysis

CYANA v2.1, Guntert, P. - structure solution

AutoAssign v2.2.0, H. Moseley; D. Zimmerman; C. Kulikowski; G. Montelione - data analysis

MONTE v2.02, Hitchens, T.K.; Lukin, J.A.; Zhan, Y.; Rule, G.S. - data analysis

NMR spectrometers:

  • Bruker AVANCE 600 MHz
  • Bruker AVANCE 700 MHz
  • Bruker AVANCE 800 MHz

Related Database Links:

BMRB 15384 17056
PDB

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks