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Structure paper

TitleMapping the conformational space accessible to catechol-O-methyltransferase.
Journal, issue, pagesActa Crystallogr. ,Sect. D, Vol. 70, Page 2163-2174, Year 2014
Publish dateMar 27, 2014 (structure data deposition date)
AuthorsEhler, A. / Benz, J. / Schlatter, D. / Rudolph, M.G.
External linksActa Crystallogr. ,Sect. D / PubMed:25084335
MethodsX-ray diffraction
Resolution1.19 - 2.58 Å
Structure data

PDB-4p7f:
Mouse apo-COMT
Method: X-RAY DIFFRACTION / Resolution: 1.37 Å

PDB-4p7g:
Rat apo-COMT, phosphate bound
Method: X-RAY DIFFRACTION / Resolution: 2.58 Å

PDB-4p7j:
Rat apo-COMT sulfate bound
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

PDB-4p7k:
Rat COMT in complex with sinefungin
Method: X-RAY DIFFRACTION / Resolution: 1.22 Å

PDB-4pyi:
human apo COMT
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

PDB-4pyj:
human apo-COMT, single domain swap
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-4pyk:
human COMT, double domain swap
Method: X-RAY DIFFRACTION / Resolution: 2.22 Å

PDB-4pyl:
Humanized rat COMT in complex with sinefungin, Mg2+, and tolcapone
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-4pym:
humanized rat apo-COMT bound to sulphate
Method: X-RAY DIFFRACTION / Resolution: 1.19 Å

PDB-4pyn:
Humanized rat COMT in complex with SAH
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-4pyo:
Humanized rat COMT bound to SAH, semi-holo form
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-4pyq:
Humanized rat apo-COMT in complex with a ureido-benzamidine
Method: X-RAY DIFFRACTION / Resolution: 1.39 Å

Chemicals

ChemComp-NA:
Unknown entry

ChemComp-PO4:
PHOSPHATE ION / Phosphate

ChemComp-PI:
HYDROGENPHOSPHATE ION / Phosphate

ChemComp-HOH:
WATER / Water

ChemComp-K:
Unknown entry

ChemComp-SO4:
SULFATE ION / Sulfate

ChemComp-SFG:
SINEFUNGIN

ChemComp-TLA:
L(+)-TARTARIC ACID / Tartaric acid

ChemComp-ACT:
ACETATE ION / Acetate

ChemComp-MG:
Unknown entry

ChemComp-CL:
Unknown entry / Chloride

ChemComp-TCW:
Tolcapone / medication, inhibitor*YM / Tolcapone

ChemComp-SAH:
S-ADENOSYL-L-HOMOCYSTEINE / S-Adenosyl-L-homocysteine

ChemComp-2X1:
4-({[3-(aminomethyl)phenyl]carbamoyl}amino)benzenecarboximidamide

Source
  • mus musculus (house mouse)
  • rattus norvegicus (Norway rat)
  • homo sapiens (human)
KeywordsTRANSFERASE / METHYLTRANSFERASE / NEUROTRANSMITTER DEGRADATION / ALTERNATIVE INITIATION / CATECHOLAMINE METABOLISM / CELL MEMBRANE / METAL-BINDING / PHOSPHOPROTEIN / S-ADENOSYL-L-METHIONINE / SIGNAL-ANCHOR / TRANSMEMBRANE ANCHOR / ENZYME MECHANISM / CONFORMATIONAL CHANGE / MEMBRANE / ENZYME / MAGNESIUM / TRANSFERASE/TRANSFERASE INHIBITOR / TRANSFERASE-TRANSFERASE INHIBITOR complex

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