Chlorine in PDB 3g49: N-(Pyridin-2-Yl) Arylsulfonamide Inhibitors of 11B-Hydroxysteroid Dehydrogenase Type 1: Discovery of Pf-915275

All present enzymatic activity of N-(Pyridin-2-Yl) Arylsulfonamide Inhibitors of 11B-Hydroxysteroid Dehydrogenase Type 1: Discovery of Pf-915275:
1.1.1.146;

The structure of N-(Pyridin-2-Yl) Arylsulfonamide Inhibitors of 11B-Hydroxysteroid Dehydrogenase Type 1: Discovery of Pf-915275, PDB code: 3g49 was solved by T.A.Pauly, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.27 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	78.207, 83.599, 179.202, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 22.5

The binding sites of Chlorine atom in the N-(Pyridin-2-Yl) Arylsulfonamide Inhibitors of 11B-Hydroxysteroid Dehydrogenase Type 1: Discovery of Pf-915275 (pdb code 3g49). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the N-(Pyridin-2-Yl) Arylsulfonamide Inhibitors of 11B-Hydroxysteroid Dehydrogenase Type 1: Discovery of Pf-915275, PDB code: 3g49:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the N-(Pyridin-2-Yl) Arylsulfonamide Inhibitors of 11B-Hydroxysteroid Dehydrogenase Type 1: Discovery of Pf-915275


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of N-(Pyridin-2-Yl) Arylsulfonamide Inhibitors of 11B-Hydroxysteroid Dehydrogenase Type 1: Discovery of Pf-915275 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2004 b:67.5 occ:1.00 CL7 A:3G42004 0.0 67.5 1.0 C1 A:3G42004 1.8 58.1 1.0 C6 A:3G42004 2.7 57.1 1.0 CD1 A:TYR206 2.7 42.3 1.0 CE1 A:TYR206 2.7 42.5 1.0 C2 A:3G42004 2.7 59.5 1.0 CG A:TYR206 2.9 39.7 1.0 C8 A:3G42004 2.9 60.9 1.0 CZ A:TYR206 2.9 43.9 1.0 CD2 A:TYR206 3.0 44.8 1.0 CE2 A:TYR206 3.0 43.8 1.0 OH A:TYR206 3.8 46.6 1.0 CB A:TYR206 3.9 37.2 1.0 CE2 A:TYR152 3.9 48.9 1.0 C5 A:3G42004 4.0 53.1 1.0 C3 A:3G42004 4.0 60.8 1.0 CD2 A:TYR152 4.2 45.5 1.0 O A:HOH2200 4.5 42.7 1.0 CZ A:TYR152 4.5 48.0 1.0 C4 A:3G42004 4.5 53.7 1.0 OH A:TYR152 4.9 45.1 1.0 CG A:LEU192 4.9 23.1 1.0

Chlorine binding site 2 out of 2 in the N-(Pyridin-2-Yl) Arylsulfonamide Inhibitors of 11B-Hydroxysteroid Dehydrogenase Type 1: Discovery of Pf-915275


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of N-(Pyridin-2-Yl) Arylsulfonamide Inhibitors of 11B-Hydroxysteroid Dehydrogenase Type 1: Discovery of Pf-915275 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl2007 b:68.7 occ:1.00 CL7 D:3G42007 0.0 68.7 1.0 C1 D:3G42007 1.7 40.6 1.0 C2 D:3G42007 2.6 38.4 1.0 C6 D:3G42007 2.7 34.3 1.0 CD2 D:TYR995 2.8 15.0 1.0 CG D:TYR995 3.0 15.0 1.0 C8 D:3G42007 3.0 31.1 1.0 CE2 D:TYR995 3.2 15.0 1.0 CD1 D:TYR995 3.5 15.0 1.0 CB D:TYR995 3.6 15.0 1.0 CZ D:TYR995 3.6 15.0 1.0 CE1 D:TYR995 3.8 15.0 1.0 C3 D:3G42007 3.9 38.8 1.0 CE2 D:TYR941 3.9 27.3 1.0 C5 D:3G42007 4.0 32.7 1.0 CD2 D:TYR941 4.0 27.6 1.0 C4 D:3G42007 4.4 34.6 1.0 OH D:TYR995 4.6 15.0 1.0 CG2 D:THR991 4.7 24.7 1.0 CZ D:TYR941 4.9 28.8 1.0 OH C:TYR785 4.9 25.7 1.0 CG D:TYR941 4.9 24.1 1.0

M.Siu, T.O.Johnson, Y.Wang, S.K.Nair, W.D.Taylor, S.J.Cripps, J.J.Matthews, M.P.Edwards, T.A.Pauly, J.Ermolieff, A.Castro, N.A.Hosea, A.Lapaglia, A.N.Fanjul, J.E.Vogel. N-(Pyridin-2-Yl) Arylsulfonamide Inhibitors of 11BETA-Hydroxysteroid Dehydrogenase Type 1: Discovery of Pf-915275. Bioorg.Med.Chem.Lett. V. 19 3493 2009.
ISSN: ISSN 0960-894X
PubMed: 19473839
DOI: 10.1016/J.BMCL.2009.05.011