Chlorine in PDB 3is3: Crystal Structure of 17BETA-Hydroxysteroid Dehydrogenase (Apo Form) From Fungus Cochliobolus Lunatus

All present enzymatic activity of Crystal Structure of 17BETA-Hydroxysteroid Dehydrogenase (Apo Form) From Fungus Cochliobolus Lunatus:
1.1.1.62;

The structure of Crystal Structure of 17BETA-Hydroxysteroid Dehydrogenase (Apo Form) From Fungus Cochliobolus Lunatus, PDB code: 3is3 was solved by A.Cassetta, D.Lamba, I.Krastanova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.86 / 1.48
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	67.914, 67.914, 268.347, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 18.8

The binding sites of Chlorine atom in the Crystal Structure of 17BETA-Hydroxysteroid Dehydrogenase (Apo Form) From Fungus Cochliobolus Lunatus (pdb code 3is3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of 17BETA-Hydroxysteroid Dehydrogenase (Apo Form) From Fungus Cochliobolus Lunatus, PDB code: 3is3:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of 17BETA-Hydroxysteroid Dehydrogenase (Apo Form) From Fungus Cochliobolus Lunatus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of 17BETA-Hydroxysteroid Dehydrogenase (Apo Form) From Fungus Cochliobolus Lunatus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl271 b:25.5 occ:1.00 N A:GLY27 3.1 28.4 1.0 O A:HOH388 3.1 14.6 1.0 N A:ALA50 3.3 21.9 1.0 CA A:GLY27 3.5 30.8 1.0 CA A:GLY25 3.5 20.9 1.0 C A:GLY25 3.6 22.4 1.0 CA A:TYR49 3.7 20.6 1.0 N A:SER26 3.8 22.7 1.0 CB A:ALA50 3.9 22.9 1.0 CB A:TYR49 4.0 21.0 1.0 O A:GLY25 4.0 22.7 1.0 C A:TYR49 4.0 21.2 1.0 C A:GLY27 4.1 32.1 1.0 N A:ARG28 4.2 32.5 1.0 O A:HOH337 4.2 12.6 1.0 CA A:ALA50 4.2 22.1 1.0 C A:SER26 4.3 27.2 1.0 N A:GLY25 4.3 20.1 1.0 CA A:SER26 4.6 25.8 1.0 O A:HOH471 4.8 17.6 1.0 N A:ASN51 4.8 23.1 1.0 O A:GLY27 4.9 33.3 1.0 O A:ASN48 4.9 21.1 1.0 CG A:ARG28 4.9 38.2 1.0 O A:HOH295 5.0 19.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of 17BETA-Hydroxysteroid Dehydrogenase (Apo Form) From Fungus Cochliobolus Lunatus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of 17BETA-Hydroxysteroid Dehydrogenase (Apo Form) From Fungus Cochliobolus Lunatus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl272 b:25.8 occ:1.00 O A:HOH295 2.9 19.9 1.0 OG A:SER104 2.9 21.2 1.0 O A:HOH322 3.0 15.4 1.0 O A:HOH337 3.1 12.6 1.0 CB A:SER104 3.5 20.1 1.0 CG1 A:ILE77 3.8 22.2 1.0 CA A:SER104 4.0 20.7 1.0 CD1 A:LEU126 4.0 20.7 1.0 CB A:ILE77 4.1 20.1 1.0 CB A:ALA50 4.1 22.9 1.0 N A:GLY25 4.3 20.1 1.0 CA A:GLY25 4.5 20.9 1.0 O A:HOH296 4.6 41.6 1.0 CD2 A:LEU126 4.8 19.9 1.0 CG2 A:ILE77 4.8 21.5 1.0 O A:HOH372 4.9 28.3 1.0 O A:HOH407 4.9 37.3 1.0 CG A:LEU126 4.9 17.7 1.0 C A:SER104 5.0 19.2 1.0 N A:GLY105 5.0 18.9 1.0 CA A:ALA50 5.0 22.1 1.0 CB A:THR24 5.0 19.8 1.0 N A:SER104 5.0 18.8 1.0 N A:ALA50 5.0 21.9 1.0

A.Cassetta, D.Lamba, I.Krastanova, J.Stojan, T.L.Rizner, K.Kristan. Structural Studies on A Fungal 17BETA Hydroxysteroid Dehydrogenase To Be Published.