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 15396

Title: SOLUTION STRUCTURE OF MATRIX METALLOPROTEINASE 3 (MMP-3) IN THE PRESENCE OF 3-4'-CYANOBYPHENYL-4-YLOXY)-N-HDYDROXYPROPIONAMIDE (MMP-3 INHIBITOR VII)   PubMed: 17710450

Deposition date: 2007-07-20 Original release date: 2008-03-13

Authors: Alcaraz, Luis A.; Banci, Lucia; Bertini, Ivano; Cantini, Francesca; Donaire, Antonio; Gonnelli, Leonardo

Citation: Alcaraz, Luis; Banci, Lucia; Bertini, Ivano; Cantini, Francesca; Donaire, Antonio; Gonnelli, Leonardo. "Matrix metalloproteinase-inhibitor interaction: the solution structure of the catalytic domain of human matrix metalloproteinase-3 with different inhibitors."  J. Biol. Inorg. Chem. 12, 1197-1206 (2007).

Assembly members:
MMP3, polymer, 161 residues, 18053.283 Da.
ZN, non-polymer, Formula weight is not available
CA, non-polymer, Formula weight is not available

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET21A

Entity Sequences (FASTA):
MMP3: GIPKWRKTHLTYRIVNYTPD LPKDAVDSAVEKALKVWEEV TPLTFSRLYEGEADIMISFA VREHGDDYPFDGPGNVLAHA YAPGPGINGDAHFDDDEQWT KDTTGTNLFLVAAHEIGHSL GLFHSANTEALMYPLYHSLT DLTRFRLSQDDINGIQSLYG P

Data sets:
Data typeCount
15N chemical shifts150
1H chemical shifts150

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1MMP31
2ZINC ION 12
3ZINC ION 22
4CALCIUM ION 13
5CALCIUM ION 23

Entities:

Entity 1, MMP3 161 residues - 18053.283 Da.

1   GLYILEPROLYSTRPARGLYSTHRHISLEU
2   THRTYRARGILEVALASNTYRTHRPROASP
3   LEUPROLYSASPALAVALASPSERALAVAL
4   GLULYSALALEULYSVALTRPGLUGLUVAL
5   THRPROLEUTHRPHESERARGLEUTYRGLU
6   GLYGLUALAASPILEMETILESERPHEALA
7   VALARGGLUHISGLYASPASPTYRPROPHE
8   ASPGLYPROGLYASNVALLEUALAHISALA
9   TYRALAPROGLYPROGLYILEASNGLYASP
10   ALAHISPHEASPASPASPGLUGLNTRPTHR
11   LYSASPTHRTHRGLYTHRASNLEUPHELEU
12   VALALAALAHISGLUILEGLYHISSERLEU
13   GLYLEUPHEHISSERALAASNTHRGLUALA
14   LEUMETTYRPROLEUTYRHISSERLEUTHR
15   ASPLEUTHRARGPHEARGLEUSERGLNASP
16   ASPILEASNGLYILEGLNSERLEUTYRGLY
17   PRO

Entity 2, ZINC ION 1 - Formula weight is not available

1   ZN

Entity 3, CALCIUM ION 1 - Formula weight is not available

1   CA

Samples:

sample_1: MMP3, [U-98% 15N], 1 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 300 mM; pH: 8; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

AUTODOCK v3.0, Morris, Goodsell, Huey, Lindstorm, Hart, Kurowski, Halliday, Belew, Olson - refinement

SPARKY, Goddard - data analysis

NMR spectrometers:

  • Bruker Avance 900 MHz

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