Chlorine in PDB 8u9a: Crystal Structure of 2,3-Dihydro-2,3-Dihydroxybenzoate Dehydrogenase From Klebsiella Aerogenes (Dbh Bound)

The structure of Crystal Structure of 2,3-Dihydro-2,3-Dihydroxybenzoate Dehydrogenase From Klebsiella Aerogenes (Dbh Bound), PDB code: 8u9a was solved by Seattle Structural Genomics Center For Infectious Disease, Seattlestructural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.04 / 1.50
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	67.542, 111.087, 57.896, 90, 90, 90
R / Rfree (%)	16.1 / 18.7

The binding sites of Chlorine atom in the Crystal Structure of 2,3-Dihydro-2,3-Dihydroxybenzoate Dehydrogenase From Klebsiella Aerogenes (Dbh Bound) (pdb code 8u9a). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of 2,3-Dihydro-2,3-Dihydroxybenzoate Dehydrogenase From Klebsiella Aerogenes (Dbh Bound), PDB code: 8u9a:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of 2,3-Dihydro-2,3-Dihydroxybenzoate Dehydrogenase From Klebsiella Aerogenes (Dbh Bound)


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 2,3-Dihydro-2,3-Dihydroxybenzoate Dehydrogenase From Klebsiella Aerogenes (Dbh Bound) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:55.2 occ:1.00 N A:TYR47 3.4 30.7 1.0 O A:HOH408 3.9 47.9 1.0 CA A:GLY46 3.9 35.7 1.0 O A:TYR47 4.0 34.3 1.0 C A:GLY46 4.1 32.9 1.0 CA A:TYR47 4.2 30.3 1.0 CB A:TYR47 4.4 29.8 1.0 CD2 A:TYR47 4.4 27.0 1.0 O A:GLU45 4.5 60.2 1.0 C A:TYR47 4.5 31.3 1.0 N A:GLY46 4.6 40.5 1.0 C A:GLU45 4.8 44.5 1.0 O A:HOH409 4.9 39.9 1.0 CG A:TYR47 4.9 22.9 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of 2,3-Dihydro-2,3-Dihydroxybenzoate Dehydrogenase From Klebsiella Aerogenes (Dbh Bound)


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 2,3-Dihydro-2,3-Dihydroxybenzoate Dehydrogenase From Klebsiella Aerogenes (Dbh Bound) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:59.8 occ:1.00 N B:ILE20 3.4 21.8 1.0 O B:HOH478 3.6 23.9 1.0 O B:HOH499 3.6 37.7 1.0 CA B:GLY19 4.0 28.8 1.0 CG1 B:ILE20 4.0 21.1 1.0 CD1 B:ILE20 4.0 24.6 1.0 O B:HOH528 4.0 46.6 1.0 CB B:ILE20 4.1 20.8 1.0 C B:GLY19 4.2 23.5 1.0 CA B:ILE20 4.4 19.5 1.0 O B:LYS18 4.9 23.8 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of 2,3-Dihydro-2,3-Dihydroxybenzoate Dehydrogenase From Klebsiella Aerogenes (Dbh Bound)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of 2,3-Dihydro-2,3-Dihydroxybenzoate Dehydrogenase From Klebsiella Aerogenes (Dbh Bound) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:58.2 occ:1.00 O B:HOH511 3.3 33.5 1.0 N B:ALA96 3.4 27.4 1.0 CA B:SER95 3.9 23.4 1.0 CB B:SER95 4.0 27.8 1.0 CB B:ALA96 4.0 31.9 1.0 C B:SER95 4.2 25.9 1.0 CA B:ALA96 4.4 28.5 1.0 O A:HOH539 4.4 38.2 1.0

L.Liu, S.Lovell, K.P.Battaile. Crystal Structure of 2,3-Dihydro-2,3-Dihydroxybenzoate Dehydrogenase From Klebsiella Aerogenes (Dbh Bound) To Be Published.