BMRB Entry 15395

Title:
SOLUTION STRUCTURE OF MATRIX METALLOPROTEINASE 3 (MMP-3) IN THE PRESENCE OF N-hydroxy-2-[N-(2-hydroxyethyl)biphenyl-4-sulfonamide] hydroxamic acid (MLC88)
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:

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).
PubMed: 17710450

Assembly members:

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:

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

Experimental source:

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

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 peaks
SPARKY: Backbone or all simulated peaks