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 17625

Title: Microvirin:mannobiose complex   PubMed: 21471192

Deposition date: 2011-05-04 Original release date: 2011-06-01

Authors: Hussan, S.; Bewley, Carole; Clore, G.; Gustchina, E.; Ghirlando, R.

Citation: Shahzad-Ul-Hussan, Syed; Gustchina, Elena; Ghirlando, Rodolfo; Clore, G. Marius; Bewley, Carole. "Solution Structure of the Monovalent Lectin Microvirin in Complex with Man{alpha}(1-2)Man Provides a Basis for Anti-HIV Activity with Low Toxicity."  J. Biol. Chem. 286, 20788-20796 (2011).

Assembly members:
microvirin, polymer, 108 residues, 12157.0095 Da.
MAB, non-polymer, 342.296 Da.

Natural source:   Common Name: cyanobacteria   Taxonomy ID: 1126   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Microcystis aeruginosa

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

Entity Sequences (FASTA):
microvirin: MPNFSHTCSSINYDPDSTIL SAECQARDGEWLPTELRLSD HIGNIDGELQFGDQNFQETC QDCRLEFGDGEQSVWLVCTC QTMDGEWKSTQILLDSQIDN NDSQLEIG

Data sets:
Data typeCount
13C chemical shifts397
15N chemical shifts121
1H chemical shifts322

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1microvirin1
2mannobiose2

Entities:

Entity 1, microvirin 108 residues - 12157.0095 Da.

1   METPROASNPHESERHISTHRCYSSERSER
2   ILEASNTYRASPPROASPSERTHRILELEU
3   SERALAGLUCYSGLNALAARGASPGLYGLU
4   TRPLEUPROTHRGLULEUARGLEUSERASP
5   HISILEGLYASNILEASPGLYGLULEUGLN
6   PHEGLYASPGLNASNPHEGLNGLUTHRCYS
7   GLNASPCYSARGLEUGLUPHEGLYASPGLY
8   GLUGLNSERVALTRPLEUVALCYSTHRCYS
9   GLNTHRMETASPGLYGLUTRPLYSSERTHR
10   GLNILELEULEUASPSERGLNILEASPASN
11   ASNASPSERGLNLEUGLUILEGLY

Entity 2, mannobiose - C12 H22 O11 - 342.296 Da.

1   MAB

Samples:

sample_1: microvirin, [U-13C; U-15N], 1.5 mM; mannobiose, [U-13C; U-15N], 1.5 mM; H2O 10%; D2O 90%; NaPO4 20 mM; NaCl 50 mM

sample_conditions_1: ionic strength: 20.000 mM; pH: 6.800; pressure: 1.000 atm; temperature: 300.000 K

Experiments:

NameSampleSample stateSample conditions
HSQCsample_1solutionsample_conditions_1
HNCACBsample_1solutionsample_conditions_1
HNCOsample_1solutionsample_conditions_1
NOESYsample_1solutionsample_conditions_1
HNHAsample_1solutionsample_conditions_1
HNCGsample_1solutionsample_conditions_1
HOHAHAsample_1solutionsample_conditions_1

Software:

AutoDep v4.3, PDBe - collection

X-PLOR vany, Brunger - chemical shift assignment

X-PLOR NIH vany, BRUNGER - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 500 MHz

Related Database Links:

UNP Q2MDE2_MICAE
PDB
EMBL CAJ13948 CAO86269
REF WP_036399836 WP_052278278

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