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Atomistry » Chlorine » PDB 3r40-3rcd » 3r6t | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Chlorine » PDB 3r40-3rcd » 3r6t » |
Chlorine in PDB 3r6t: 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}-AmideEnzymatic activity of 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
All present enzymatic activity of 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:
2.1.1.6; Protein crystallography data
The structure of 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, PDB code: 3r6t
was solved by
A.Ehler,
D.Schlatter,
M.Stihle,
J.Benz,
M.G.Rudolph,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 3r6t:
The structure of 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 also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the 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
(pdb code 3r6t). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the 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, PDB code: 3r6t: Jump to Chlorine binding site number: 1; 2; 3; Chlorine binding site 1 out of 3 in 3r6tGo back to Chlorine Binding Sites List in 3r6t
Chlorine binding site 1 out
of 3 in the 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
Mono view Stereo pair view
Chlorine binding site 2 out of 3 in 3r6tGo back to Chlorine Binding Sites List in 3r6t
Chlorine binding site 2 out
of 3 in the 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
Mono view Stereo pair view
Chlorine binding site 3 out of 3 in 3r6tGo back to Chlorine Binding Sites List in 3r6t
Chlorine binding site 3 out
of 3 in the 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
Mono view Stereo pair view
Reference:
M.Ellermann,
C.Lerner,
G.Burgy,
A.Ehler,
C.Bissantz,
R.Jakob-Roetne,
R.Paulini,
O.Allemann,
H.Tissot,
D.Grunstein,
M.Stihle,
F.Diederich,
M.G.Rudolph.
Catechol-O-Methyltransferase in Complex with Substituted 3'-Deoxyribose Bisubstrate Inhibitors. Acta Crystallogr.,Sect.D V. 68 253 2012.
Page generated: Sun Jul 21 03:29:52 2024
ISSN: ISSN 0907-4449 PubMed: 22349227 DOI: 10.1107/S0907444912001138 |
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