BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 18618

Title: Structural model of BAD-1 repeat loop by NMR   PubMed: 23853587

Deposition date: 2012-07-26 Original release date: 2013-07-29

Authors: Brandhorst, Tristan; Klein, Bruce; Tonelli, Marco

Citation: Brandhorst, T. Tristan; Roy, Rene; Wuthrich, Marcel; Nanjappa, Som; Filutowicz, Hanna; Galles, Kevin; Tonelli, Marco; McCaslin, Darrell; Satyshur, Kenneth; Klein, Bruce. "Structure and function of a fungal adhesin that binds heparin and mimics thrombospondin-1 by blocking T cell activation and effector function."  PLoS Pathog. 9, e1003464-e1003464 (2013).

Assembly members:
BAD-1 repeat loop, polymer, 20 residues, 2690.937 Da.

Natural source:   Common Name: ascomycetes   Taxonomy ID: 5039   Superkingdom: Eukaryota   Kingdom: Fungi   Genus/species: Ajellomyces dermatitidis

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
BAD-1 repeat loop: NCDWDKSHEKYDWELWDKWC

Data sets:
Data typeCount
13C chemical shifts76
15N chemical shifts24
1H chemical shifts138

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1BAD-1 repeat loop1

Entities:

Entity 1, BAD-1 repeat loop 20 residues - 2690.937 Da.

1   ASNCYSASPTRPASPLYSSERHISGLULYS
2   TYRASPTRPGLULEUTRPASPLYSTRPCYS

Samples:

TR4: TR4, [U-100% 13C; U-100% 15N], 0.1 mM; potassium phosphate 10 mM; sodium azide 0.1%; H2O 90%; D2O 10%

sample_conditions_1: pH: 8.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCTR4isotropicsample_conditions_1
2D 1H-13C HSQCTR4isotropicsample_conditions_1
3D HNCACBTR4isotropicsample_conditions_1
3D CBCA(CO)NHTR4isotropicsample_conditions_1
3D HBHA(CO)NHTR4isotropicsample_conditions_1
3D H(CCO)NHTR4isotropicsample_conditions_1
3D C(CO)NHTR4isotropicsample_conditions_1
3D HCCH-TOCSYTR4isotropicsample_conditions_1
3D 1H-15N NOESYTR4isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticTR4isotropicsample_conditions_1
2D 1H-13C HSQC aromaticTR4isotropicsample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment

CYANA vCYANA 3.0_intel, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

  • Varian VNMRS 900 MHz
  • Varian VNMRS 600 MHz

Related Database Links:

PDB

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts