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Chlorine in PDB, part 345 (files: 13761-13800), PDB 5p98-5pav

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 5p98-5pav).
  1. 5p98 (Cl: 3) - Rat Catechol O-Methyltransferase in Complex with 5-(4-Fluorophenyl)-2, 3-Dihydroxy-N-(2-Hydroxyethyl)Benzamide at 1.20A
    Other atoms: F (1); Mg (1);
  2. 5p99 (Cl: 2) - 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: F (1); Mg (1);
  3. 5p9b (Cl: 2) - 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: F (1); Mg (1);
  4. 5p9e (Cl: 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: F (2); Mg (1);
  5. 5p9n (Cl: 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: F (2); Mg (1);
  6. 5p9o (Cl: 1) - Humanized Rat Comt in Complex with 7-Fluoro-5,6-Bis(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One
    Other atoms: F (3); Mg (1);
  7. 5p9p (Cl: 1) - Humanized Rat Comt in Complex with 5,6-Bis(4-Fluorophenyl)-8-Hydroxy- 3H-Quinazolin-4-One
    Other atoms: F (2); Mg (1);
  8. 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);
  9. 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);
  10. 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);
  11. 5p9v (Cl: 1) - Humanized Rat Comt in Complex with 8-Hydroxy-6-(2-Methylpyridin-3-Yl)- 3H-Quinazolin-4-One
    Other atoms: Mg (1);
  12. 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);
  13. 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);
  14. 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);
  15. 5p9z (Cl: 2) - Humanized Rat Comt in Complex with 6-(4-Fluorophenyl)Quinazolin-8-Ol
    Other atoms: F (1); Mg (1);
  16. 5pa0 (Cl: 1) - Humanized Rat Comt in Complex with 3-Hydroxy-1-Methyl-5-Phenylpyridin- 2-One
    Other atoms: Mg (1);
  17. 5pa1 (Cl: 1) - Rat Catechol O-Methyltransferase in Complex with Sah and 6-(4- Fluorophenyl)Quinolin-8-Ol
    Other atoms: F (1); Mg (1);
  18. 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);
  19. 5pa3 (Cl: 1) - Humanized Comt in Complex with 8-Hydroxy-6-[2-(Methoxymethyl)Phenyl]- 3H-Quinazolin-4-One
    Other atoms: Mg (1); K (2);
  20. 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);
  21. 5pa6 (Cl: 1) - Humanized Rat Comt in Complex with 7-(4-Fluorophenyl)Quinoxalin-5-Ol
    Other atoms: F (1); Mg (1);
  22. 5pa7 (Cl: 1) - Humanized Rat Comt in Complex with 6-Bromo-3-Chloroquinolin-8-Ol
    Other atoms: Mg (1); Br (1); Na (2);
  23. 5pa8 (Cl: 2) - Crystal Structure of Factor Viia in Complex with Cyclohexanamine
    Other atoms: Ca (1);
  24. 5pa9 (Cl: 2) - Crystal Structure of Factor Viia in Complex with Phenylmethanamine;Hydrochloride
    Other atoms: Ca (1);
  25. 5paa (Cl: 4) - Crystal Structure of Factor Viia in Complex with Cyclohexylmethanamine
    Other atoms: Ca (1);
  26. 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);
  27. 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);
  28. 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);
  29. 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);
  30. 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);
  31. 5paj (Cl: 2) - Crystal Structure of Factor Viia in Complex with 1-(1- Aminoisoquinolin-6-Yl)-3-Benzylurea
    Other atoms: Ca (1);
  32. 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);
  33. 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);
  34. 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);
  35. 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);
  36. 5par (Cl: 2) - Crystal Structure of Factor Viia in Complex with 1H-Benzimidazol-2- Amine
    Other atoms: Ca (1);
  37. 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);
  38. 5pat (Cl: 2) - Crystal Structure of Factor Viia in Complex with N-(2-Amino-1H- Benzimidazol-5-Yl)-2-(3-Chlorophenyl)Acetamide
  39. 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);
  40. 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);
Page generated: Fri May 13 21:32:55 2022

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