Chlorine in PDB, part 345 (files: 13761-13800),
PDB 5p9q-5pb4
Experimental structures of coordination spheres of Chlorine (Cl) in bioorganic
molecules from X-Ray and NMR experiments. Coordination spheres were calculated with 5.0 Angstroms radius
around Chlorine atoms. PDB files: 13761-13800 (PDB 5p9q-5pb4).
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5p9q (Cl: 1) - Humanized Rat Comt in Complex with 6-(2,4-Dimethyl-1,3-Thiazol-5-Yl)- 8-Hydroxy-3H-Quinazolin-4-One
Other atoms:
Mg (1);
-
5p9r (Cl: 3) - Humanized Rat Comt in Complex with 5-Chloro-6-(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One
Other atoms:
F (2);
Mg (2);
Na (1);
-
5p9t (Cl: 1) - Humanized Rat Catechol O-Methyltransferase in Complex with 6-(4- Fluorophenyl)-8-Hydroxy-3H-Quinazolin-4-One
Other atoms:
F (1);
Mg (1);
-
5p9v (Cl: 1) - Humanized Rat Comt in Complex with 8-Hydroxy-6-(2-Methylpyridin-3-Yl)- 3H-Quinazolin-4-One
Other atoms:
Mg (1);
-
5p9w (Cl: 2) - 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:
F (1);
Mg (1);
-
5p9x (Cl: 2) - 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:
F (1);
Mg (1);
-
5p9y (Cl: 2) - 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:
F (1);
Mg (1);
-
5p9z (Cl: 2) - Humanized Rat Comt in Complex with 6-(4-Fluorophenyl)Quinazolin-8-Ol
Other atoms:
F (1);
Mg (1);
-
5pa0 (Cl: 1) - Humanized Rat Comt in Complex with 3-Hydroxy-1-Methyl-5-Phenylpyridin- 2-One
Other atoms:
Mg (1);
-
5pa1 (Cl: 1) - Rat Catechol O-Methyltransferase in Complex with Sah and 6-(4- Fluorophenyl)Quinolin-8-Ol
Other atoms:
F (1);
Mg (1);
-
5pa2 (Cl: 1) - Humanized Rat Comt in Complex with 7-Fluoro-6-(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One
Other atoms:
F (2);
Mg (1);
-
5pa3 (Cl: 1) - Humanized Comt in Complex with 8-Hydroxy-6-[2-(Methoxymethyl)Phenyl]- 3H-Quinazolin-4-One
Other atoms:
Mg (1);
K (2);
-
5pa5 (Cl: 1) - Humanized Rat Comt in Complex with 6-(2,4-Dimethyl-1,3-Thiazol-5-Yl)- 8-Hydroxy-3H-Quinazolin-4-One
Other atoms:
Mg (1);
-
5pa6 (Cl: 1) - Humanized Rat Comt in Complex with 7-(4-Fluorophenyl)Quinoxalin-5-Ol
Other atoms:
F (1);
Mg (1);
-
5pa7 (Cl: 1) - Humanized Rat Comt in Complex with 6-Bromo-3-Chloroquinolin-8-Ol
Other atoms:
Mg (1);
Br (1);
Na (2);
-
5pa8 (Cl: 2) - Crystal Structure of Factor Viia in Complex with Cyclohexanamine
Other atoms:
Ca (1);
-
5pa9 (Cl: 2) - Crystal Structure of Factor Viia in Complex with Phenylmethanamine;Hydrochloride
Other atoms:
Ca (1);
-
5paa (Cl: 4) - Crystal Structure of Factor Viia in Complex with Cyclohexylmethanamine
Other atoms:
Ca (1);
-
5pab (Cl: 3) - Crystal Structure of Factor Viia in Complex with 1-[[3-[2-Hydroxy-3- (1H-Pyrrolo[3,2-C]Pyridin-2-Yl)Phenyl]Phenyl]Methyl]-3-Phenylurea
Other atoms:
Ca (1);
-
5pac (Cl: 1) - Human Factor Viia in Complex with 5-Hydroxy-N-(4-Oxo-3H-Quinazolin-6- Yl)-1-[3-[(Phenylcarbamoylamino)Methyl]Phenyl]Pyrazole-4-Carboxamide at 1.50A
Other atoms:
Ca (1);
-
5paf (Cl: 2) - 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:
F (3);
Ca (1);
-
5pag (Cl: 2) - Crystal Structure of Factor Viia in Complex with (2R)-2-Hydroxy-N-[[3- [5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1- Yl]Phenyl]Methyl]-3-Methylbutanamide;Hydrobromide
Other atoms:
Ca (1);
-
5pai (Cl: 1) - Human Factor Viia in Complex with N-(2-Amino-1H-Benzimidazol-5-Yl)-1- [3-[[(3,5-Dimethyl-1,2-Oxazol-4-Yl)Carbamoylamino]Methyl]Phenyl]-5- Hydroxypyrazole-4-Carboxamide at 1.73A
Other atoms:
Ca (1);
-
5paj (Cl: 2) - Crystal Structure of Factor Viia in Complex with 1-(1- Aminoisoquinolin-6-Yl)-3-Benzylurea
Other atoms:
Ca (1);
-
5pam (Cl: 3) - 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:
F (1);
Ca (1);
-
5pan (Cl: 1) - Crystal Structure of Factor Viia in Complex with 5-Hydroxy-N-(3-Oxo-1, 2-Dihydroisoindol-5-Yl)-1-[3-[(Phenylcarbamoylamino) Methyl]Phenyl]Pyrazole-4-Carboxamide
Other atoms:
Ca (1);
-
5pao (Cl: 1) - Crystal Structure of Factor Viia in Complex with (2S)-2,3-Dihydroxy-N- [[3-[5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1- Yl]Phenyl]Methyl]Propanamide;Hydrobromide
Other atoms:
Ca (1);
-
5paq (Cl: 3) - Crystal Structure of Factor Viia in Complex with 2-[(1- Aminoisoquinolin-6-Yl)Amino]-2-(3-Ethoxy-4-Propan-2-Yloxyphenyl)-1- (2-Phenylpyrrolidin-1-Yl)Ethanone
Other atoms:
Ca (1);
-
5par (Cl: 2) - Crystal Structure of Factor Viia in Complex with 1H-Benzimidazol-2- Amine
Other atoms:
Ca (1);
-
5pas (Cl: 1) - Crystal Structure of Factor Viia in Complex with (2S)-2-Hydroxy-N-[[3- [5-Hydroxy-4-(1H-Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1- Yl]Phenyl]Methyl]-3-Phenylpropanamide
Other atoms:
Ca (1);
-
5pat (Cl: 2) - Crystal Structure of Factor Viia in Complex with N-(2-Amino-1H- Benzimidazol-5-Yl)-2-(3-Chlorophenyl)Acetamide
-
5pau (Cl: 2) - Crystal Structure of Factor Viia in Complex with N-(2-Amino-1H- Benzimidazol-5-Yl)-2-[3-[(2-Amino-2-Oxoethyl)- Methylsulfonylamino]Phenyl]Acetamide;2,2,2-Trifluoroacetic Acid
Other atoms:
Ca (1);
-
5pav (Cl: 3) - Crystal Structure of Factor Viia in Complex with N-(6-Aminopyridin-3- Yl)-5-Hydroxy-1-Phenylpyrazole-4-Carboxamide
Other atoms:
Ca (1);
-
5paw (Cl: 3) - Crystal Structure of Factor Viia in Complex with Isoquinoline-1,6- Diamine
Other atoms:
Ca (1);
-
5pax (Cl: 1) - 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:
F (2);
Ca (1);
-
5pay (Cl: 2) - Crystal Structure of Factor Viia in Complex with 1-[[3-[5-Hydroxy-4- (1H-Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1-Yl]Phenyl]Methyl]-3- Phenylurea
Other atoms:
Ca (1);
-
5pb0 (Cl: 3) - Crystal Structure of Factor Viia in Complex with 2-(4-Ethoxy-3- Methoxyphenyl)-2-(Isoquinolin-6-Ylamino)Acetic Acid
Other atoms:
Ca (1);
-
5pb2 (Cl: 2) - Crystal Structure of Factor Viia in Complex with 2-Phenyl-4-(1H- Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-3-Ol
Other atoms:
Ca (1);
-
5pb3 (Cl: 3) - Crystal Structure of Factor Viia in Complex with 1-[[3-[4-(5-Amino-1H- Pyrrolo[3,2-B]Pyridin-2-Yl)-5-Hydroxypyrazol-1-Yl]Phenyl]Methyl]-3- Phenylurea
Other atoms:
Ca (1);
-
5pb4 (Cl: 2) - Human Factor Viia in Complex with 1-[[3-[5-Hydroxy-3-Methyl-4-(1H- Pyrrolo[3,2-C]Pyridin-2-Yl)Pyrazol-1-Yl]Phenyl]Methyl]-3-Phenylurea at 2.43A
Other atoms:
Ca (1);
Page generated: Sat Jul 12 07:09:58 2025
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