Fluorine in PDB, part 111 (files: 4401-4440),
PDB 5p91-5phg
Experimental structures of coordination spheres of Fluorine (F) in bioorganic
molecules from X-Ray and NMR experiments. Coordination spheres were calculated with 5.0 Angstroms radius
around Fluorine atoms. PDB files: 4401-4440 (PDB 5p91-5phg).
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5p91 (F: 2) - Humanized Rat Catechol O-Methyltransferase in Complex with 5-(4- Fluorophenyl)-2,3-Dihydroxy-N-[2-[5-(2-Methylpyridin-4-Yl)-4H-1,2,4- Triazol-3-Yl]Ethyl]Benzamide at 1.20A
Other atoms:
Mg (1);
Cl (2);
-
5p92 (F: 1) - Humanized Rat Catechol O-Methyltransferase in Complex with 5-(4- Fluorophenyl)-2,3-Dihydroxy-N-(4-Thieno[2,3-C]Pyridin-2-Ylbutyl) Benzamide at 1.61A
Other atoms:
Mg (1);
Cl (2);
-
5p93 (F: 1) - Humanized Rat Catechol O-Methyltransferase in Complex with Single Conformation of 5-(4-Fluorophenyl)-2,3-Dihydroxy-N-[2-(3-Pyridin-4- Yl-1H-1,2,4-Triazol-5-Yl)Ethyl]Benzamide at 1.24A
Other atoms:
Mg (1);
Cl (2);
-
5p94 (F: 1) - Humanized Rat Catechol O-Methyltransferase in Complex with 5-(4- Fluorophenyl)-2,3-Dihydroxy-N-[[3-[(1H-Indazol-5-Ylamino) Methyl]Phenyl]Methyl]Benzamide at 1.20A
Other atoms:
Mg (1);
Cl (2);
-
5p95 (F: 2) - Rat Catechol O-Methyltransferase in Complex with N-[5-(6-Aminopurin-9- Yl)Pentyl]-5-(4-Fluorophenyl)-2,3-Dihydroxybenzamide at 1.30A
Other atoms:
Mg (1);
Cl (3);
-
5p96 (F: 1) - Rat Catechol O-Methyltransferase in Complex with N-[5-(2-Aminopurin-9- Yl)Pentyl]-5-(4-Fluorophenyl)-2,3-Dihydroxybenzamide at 1.40A
Other atoms:
Mg (1);
Cl (2);
-
5p97 (F: 1) - Rat Catechol O-Methyltransferase in Complex with 5-(4-Fluorophenyl)-2, 3-Dihydroxy-N-[(1-Methylimidazol-4-Yl)Methyl]Benzamide at 1.30A
Other atoms:
Mg (1);
Cl (3);
-
5p98 (F: 1) - Rat Catechol O-Methyltransferase in Complex with 5-(4-Fluorophenyl)-2, 3-Dihydroxy-N-(2-Hydroxyethyl)Benzamide at 1.20A
Other atoms:
Mg (1);
Cl (3);
-
5p99 (F: 1) - Rat Catechol O-Methyltransferase in Complex with N-[2-[2-(3,4- Dihydroxyphenyl)-2-Oxoethyl]Sulfanylethyl]-5-(4-Fluorophenyl)-2,3- Dihydroxybenzamide at 1.20A
Other atoms:
Mg (1);
Cl (2);
-
5p9a (F: 2) - Rat Catechol O-Methyltransferase in Complex with N-[2-[2-(6- Aminopurin-9-Yl)Ethoxy]Ethyl]-5-(4-Fluorophenyl)-2,3- Dihydroxybenzamide at 1.91A
Other atoms:
Mg (1);
K (1);
-
5p9b (F: 1) - Rat Catechol O-Methyltransferase in Complex with N-[2-[[5-(4- Fluorophenyl)-2,3-Dihydroxybenzoyl]Amino]Ethyl]-6-Hydroxypyrimidine- 4-Carboxamide at 1.45A
Other atoms:
Mg (1);
Cl (2);
-
5p9c (F: 1) - Rat Catechol O-Methyltransferase in Complex with 5-(4-Fluorophenyl)-2, 3-Dihydroxy-N-(5-Pyrrolo[3,2-C]Pyridin-1-Ylpentyl)Benzamide at 1.70A
Other atoms:
Mg (1);
K (1);
-
5p9d (F: 1) - Rat Catechol O-Methyltransferase in Complex with 5-(4-Fluorophenyl)-2, 3-Dihydroxy-N-(5-Imidazol-1-Ylpentyl)Benzamide at 1.42A
Other atoms:
Mg (1);
K (1);
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5p9e (F: 2) - Rat Catechol O-Methyltransferase in Complex with N-[2-(5-Benzyl-1H-1, 2,4-Triazol-3-Yl)Ethyl]-5-(4-Fluorophenyl)-2,3-Dihydroxybenzamide at 1.50A
Other atoms:
Mg (1);
Cl (2);
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5p9g (F: 1) - Structure of Btk with RN486
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5p9h (F: 1) - BTK1 Cocrystallized with RN983
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5p9k (F: 1) - Crystal Structure of Btk with Cnx 774
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5p9l (F: 1) - BTK1 in Complex with Cc 292
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5p9n (F: 2) - Humanized Rat Comt in Complex with 5-(4-Fluorophenyl)-2,3-Dihydroxy-N- [[3-[Hydroxy-(1-Methylindazol-5-Yl)Methyl]Phenyl]Methyl]Benzamide at 1.17A
Other atoms:
Mg (1);
Cl (2);
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5p9o (F: 3) - Humanized Rat Comt in Complex with 7-Fluoro-5,6-Bis(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One
Other atoms:
Mg (1);
Cl (1);
-
5p9p (F: 2) - Humanized Rat Comt in Complex with 5,6-Bis(4-Fluorophenyl)-8-Hydroxy- 3H-Quinazolin-4-One
Other atoms:
Mg (1);
Cl (1);
-
5p9r (F: 2) - Humanized Rat Comt in Complex with 5-Chloro-6-(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One
Other atoms:
Mg (2);
Cl (3);
Na (1);
-
5p9t (F: 1) - Humanized Rat Catechol O-Methyltransferase in Complex with 6-(4- Fluorophenyl)-8-Hydroxy-3H-Quinazolin-4-One
Other atoms:
Mg (1);
Cl (1);
-
5p9w (F: 1) - Rat Catechol O-Methyltransferase in Complex with 4'-Fluoro-4,5- Dihydroxy-N-{[(1R,2R)-2-{(2S,4R,5R)-4-Hydroxy-5-[6-(Methylamino)-9H- Purin-9-Yl]Oxolan-2-Yl}Cyclopropyl]Methyl}[1,1'-Biphenyl]-3- Carboxamide
Other atoms:
Mg (1);
Cl (2);
-
5p9x (F: 1) - Humanized Rat Catechol O-Methyltransferase in Complex with N-[1-[(2R, 3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Propan-2- Yl]-5-(4-Fluorophenyl)-2,3-Dihydroxybenzamide
Other atoms:
Mg (1);
Cl (2);
-
5p9y (F: 1) - Humanized Rat Catechol O-Methyltransferase in Complex with 6-(4- Fluorophenyl)-8-Hydroxy-3-(5-Pyrrolo[3,2-C]Pyridin-1-Ylpentyl) Quinazolin-4-One
Other atoms:
Mg (1);
Cl (2);
-
5p9z (F: 1) - Humanized Rat Comt in Complex with 6-(4-Fluorophenyl)Quinazolin-8-Ol
Other atoms:
Mg (1);
Cl (2);
-
5pa1 (F: 1) - Rat Catechol O-Methyltransferase in Complex with Sah and 6-(4- Fluorophenyl)Quinolin-8-Ol
Other atoms:
Mg (1);
Cl (1);
-
5pa2 (F: 2) - Humanized Rat Comt in Complex with 7-Fluoro-6-(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One
Other atoms:
Mg (1);
Cl (1);
-
5pa4 (F: 1) - Humanized Rat Comt in Complex with 6-(4-Fluorophenyl)-8-Hydroxy-3H- Quinazolin-4-One
Other atoms:
Mg (1);
-
5pa6 (F: 1) - Humanized Rat Comt in Complex with 7-(4-Fluorophenyl)Quinoxalin-5-Ol
Other atoms:
Mg (1);
Cl (1);
-
5paf (F: 3) - Crystal Structure of Factor Viia in Complex with N-(2-Amino-1H- Benzimidazol-5-Yl)-2-[3-[(2-Amino-2-Oxoethyl)-Methylsulfonylamino]-5- Chlorophenyl]Acetamide;2,2,2-Trifluoroacetic Acid
Other atoms:
Cl (2);
Ca (1);
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5pam (F: 1) - Crystal Structure of Factor Viia in Complex with 2-[(1- Aminoisoquinolin-6-Yl)Amino]-2-(5-Ethoxy-2-Fluorophenyl)-1-(2- Phenylpyrrolidin-1-Yl)Ethanone
Other atoms:
Cl (3);
Ca (1);
-
5pax (F: 2) - Crystal Structure of Factor Viia in Complex with 1-(2,6- Difluorophenyl)-3-[[3-[5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl) Pyrazol-1-Yl]Phenyl]Methyl]Urea
Other atoms:
Cl (1);
Ca (1);
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5pgu (F: 4) - Crystal Structure of 11BETA-HSD1 Double Mutant (L262R, F278E) Complexed with 2-[2-(4-Fluorophenyl)-2-Adamantyl]-1-(3- Methoxyazetidin-1-Yl)Ethanone
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5pgv (F: 4) - Crystal Structure of 11BETA-HSD1 Double Mutant (L262R, F278E) Complexed with 1-(3-Hydroxyazetidin-1-Yl)-2-[(2S,5R)-2-(4- Fluorophenyl)-5-Methoxyadamantan-2-Yl]Ethan-1-One
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5pgw (F: 4) - Crystal Structure of 11BETA-HSD1 Double Mutant (L262R, F278E) Complexed with 2-[(1R,3S,5R,7S)-2-[4-(4-Fluorophenyl)Phenyl]-6- Hydroxyadamantan-2-Yl]-1-(3- Hydroxyazetidin-1-Yl)Ethan-1-One
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5ph0 (F: 3) - Pandda Analysis Group Deposition -- Crystal Structure of JMJD2D in Complex with N09484A
Other atoms:
Ni (1);
Mg (1);
Zn (1);
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5ph1 (F: 1) - Pandda Analysis Group Deposition -- Crystal Structure of JMJD2D in Complex with N09449A
Other atoms:
Ni (1);
Zn (1);
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5phg (F: 1) - Pandda Analysis Group Deposition -- Crystal Structure of JMJD2D in Complex with N09689A
Other atoms:
Ni (1);
Zn (1);
Page generated: Tue Dec 1 09:25:10 2020
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