RAT Catechol O-methyltransferase in Complex With the Bisubstrate Inhibitor 4'-fluoro-4,5-dihydroxy-biphenyl-3-carboxylic Acid {(e)-3- [(2s,4r,5r)-4-hydroxy-5-(6-methyl-purin-9-yl)-tetrahydro-furan-2-yl]- Allyl}-amide
MMDB ID: 96893PDB ID: 3R6Thelp
PDB Deposition Date: 2011/3/22help
Updated in MMDB: 04/2012  help
Experimental Method:
X-Ray Diffraction help
Resolution: 1.2  Åhelp
Source Organism:
Similar Structures: help
Citation: help
Ellermann M, Lerner C, Burgy G, Ehler A, Bissantz C, Jakob-Roetne R, Paulini R, Allemann O, Tissot H, Grunstein D, Stihle M, Diederich F, Rudolph MG
Acta Crystallogr.,Sect.D (2012) 68 p.253
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Biological Unit: monomeric; determined by author, and by software (PISA)help
Interactions?
schmatic for structure MMDB ID=96893 biounit 1
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Molecular graphic for MMDB ID 96893 biounit 1
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ProteinChemical
Molecules and interactionshelp
Label Count Molecule Interactions
Protein and interactions (1 molecule)
1
Catechol O-methyltransferase
Show annotation
  • 3R6T
  • CHES
  • Chloride Ion
  • Dithiane Diol
  • Magnesium Ion
  • Sulfate Ion
Chemicals and interactions (9 molecules)
 -Click for PubChem compound information. 1
  • 3R6T
  • Catechol O-methyltransferase
 -Click for PubChem compound information. 3
  • Catechol O-methyltransferase
 -Click for PubChem compound information. 2
  • Catechol O-methyltransferase
 -Click for PubChem compound information. 1
  • CHES
  • Catechol O-methyltransferase
  • Magnesium Ion
 -Click for PubChem compound information. 1
  • Catechol O-methyltransferase
 -Click for PubChem compound information. 1
  • 3R6T
  • Catechol O-methyltransferase
* Click molecule labels to explore molecular sequence information.

Citing MMDB
Madej T, Addess KJ, Fong JH, Geer LY, Geer RC, Lanczycki CJ, Liu C, Lu S, Marchler-Bauer A, Panchenko AR, Chen J, Thiessen PA, Wang Y, Zhang D, Bryant SH. "MMDB: 3D structures and macromolecular interactions." Nucleic Acids Res. 2012 Jan; 40(Database issue):D461-4
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