Chlorine in PDB 2pgo: The Crystal Structure of Fad and Thdp Dependent Cyclohexane-1,2-Dione Hydrolase (Cdh) From Azoarcus Sp. Strain 22LIN

The structure of The Crystal Structure of Fad and Thdp Dependent Cyclohexane-1,2-Dione Hydrolase (Cdh) From Azoarcus Sp. Strain 22LIN, PDB code: 2pgo was solved by A.K.Steinbach, E.Warkentin, P.M.H.Kroneck, U.Ermler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	5.00 / 1.26
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	123.600, 123.600, 144.300, 90.00, 90.00, 90.00
R / Rfree (%)	9.7 / 12

The structure of The Crystal Structure of Fad and Thdp Dependent Cyclohexane-1,2-Dione Hydrolase (Cdh) From Azoarcus Sp. Strain 22LIN also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the The Crystal Structure of Fad and Thdp Dependent Cyclohexane-1,2-Dione Hydrolase (Cdh) From Azoarcus Sp. Strain 22LIN (pdb code 2pgo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Crystal Structure of Fad and Thdp Dependent Cyclohexane-1,2-Dione Hydrolase (Cdh) From Azoarcus Sp. Strain 22LIN, PDB code: 2pgo:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Crystal Structure of Fad and Thdp Dependent Cyclohexane-1,2-Dione Hydrolase (Cdh) From Azoarcus Sp. Strain 22LIN


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Fad and Thdp Dependent Cyclohexane-1,2-Dione Hydrolase (Cdh) From Azoarcus Sp. Strain 22LIN within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl611 b:6.1 occ:1.00 NE2 A:HIS76 3.1 5.5 1.0 N4' B:TPP615 3.2 5.5 1.0 OE1 A:GLN116 3.3 6.8 1.0 C2 B:TPP615 3.3 8.2 1.0 O A:HOH1148 3.3 13.6 0.5 O A:HOH796 3.3 10.1 1.0 CE1 A:HIS76 3.6 5.2 1.0 O A:HOH1152 3.6 16.7 0.5 CE1 A:HIS28 3.7 5.6 1.0 NE2 A:GLN116 3.7 3.2 1.0 C7' B:TPP615 3.8 4.7 1.0 CH2 B:TRP285 3.8 7.0 1.0 ND1 A:HIS28 3.9 5.8 1.0 CD A:GLN116 3.9 4.6 1.0 N3 B:TPP615 4.0 4.2 1.0 C4' B:TPP615 4.1 3.1 1.0 CD2 A:HIS76 4.3 5.4 1.0 O B:GLY424 4.4 4.3 1.0 C5' B:TPP615 4.4 3.9 1.0 CZ3 B:TRP285 4.4 7.4 1.0 S1 B:TPP615 4.6 6.5 1.0 CG2 B:ILE398 4.8 4.8 1.0 ND1 A:HIS76 4.8 4.8 1.0 CZ2 B:TRP285 4.8 6.3 1.0 NE2 A:HIS28 4.9 5.2 1.0

Chlorine binding site 2 out of 2 in the The Crystal Structure of Fad and Thdp Dependent Cyclohexane-1,2-Dione Hydrolase (Cdh) From Azoarcus Sp. Strain 22LIN


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of Fad and Thdp Dependent Cyclohexane-1,2-Dione Hydrolase (Cdh) From Azoarcus Sp. Strain 22LIN within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl610 b:5.9 occ:1.00 N4' A:TPP614 3.2 6.1 1.0 NE2 B:HIS76 3.2 5.5 1.0 O A:HOH696 3.3 8.5 1.0 NE2 B:GLN116 3.3 4.8 1.0 C2 A:TPP614 3.3 7.1 1.0 O2 A:MPD620 3.4 11.8 1.0 CE1 B:HIS76 3.5 4.9 1.0 O4 A:MPD620 3.6 14.1 1.0 CE1 B:HIS28 3.7 5.8 1.0 OE1 B:GLN116 3.7 5.6 1.0 C7' A:TPP614 3.8 4.6 1.0 ND1 B:HIS28 3.8 5.2 1.0 CH2 A:TRP285 3.9 5.7 1.0 CD B:GLN116 3.9 3.9 1.0 N3 A:TPP614 4.0 4.4 1.0 C4' A:TPP614 4.2 4.5 1.0 CD2 B:HIS76 4.3 5.2 1.0 O A:GLY424 4.4 4.1 1.0 C5' A:TPP614 4.4 3.9 1.0 CZ3 A:TRP285 4.5 5.3 1.0 C2 A:MPD620 4.5 10.7 1.0 C1 A:MPD620 4.6 15.0 1.0 S1 A:TPP614 4.6 6.3 1.0 C4 A:MPD620 4.7 13.9 1.0 ND1 B:HIS76 4.8 5.0 1.0 CG2 A:ILE398 4.8 5.1 1.0 CZ2 A:TRP285 4.8 5.1 1.0 NE2 B:HIS28 4.9 5.6 1.0

A.K.Steinbach, J.Harder, E.Warkentin, P.M.H.Kroneck, U.Ermler. The Crystal Structure of Fad and Thdp Dependent Cyclohexane-1,2-Dione Hydrolase (Cdh) From Azoarcus Sp. Strain 22LIN To Be Published.