Chlorine in PDB 4qgs: Substrate and Cofactor-Free Form of the Aldehyde Reductase Yqhd From E. Coli.

The structure of Substrate and Cofactor-Free Form of the Aldehyde Reductase Yqhd From E. Coli., PDB code: 4qgs was solved by J.W.Lamattina, S.Kapoor, W.N.Lanzilotta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.67 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	102.402, 68.441, 66.602, 90.00, 118.46, 90.00
R / Rfree (%)	18.6 / 21.9

The structure of Substrate and Cofactor-Free Form of the Aldehyde Reductase Yqhd From E. Coli. also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Substrate and Cofactor-Free Form of the Aldehyde Reductase Yqhd From E. Coli. (pdb code 4qgs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Substrate and Cofactor-Free Form of the Aldehyde Reductase Yqhd From E. Coli., PDB code: 4qgs:

Chlorine binding site 1 out of 1 in the Substrate and Cofactor-Free Form of the Aldehyde Reductase Yqhd From E. Coli.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Substrate and Cofactor-Free Form of the Aldehyde Reductase Yqhd From E. Coli. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:22.2 occ:1.00 O A:HOH718 3.2 22.9 1.0 NE A:ARG23 3.2 21.8 1.0 NH1 A:ARG23 3.3 23.5 1.0 CZ A:ARG23 3.7 25.6 1.0 CB A:HIS28 4.1 24.1 1.0 CD A:ARG23 4.3 20.7 1.0 CA A:HIS28 4.6 25.3 1.0 SD A:MET57 4.6 24.3 1.0 CG A:MET57 4.7 23.3 1.0 CG A:ARG23 4.7 20.4 1.0 O A:HOH675 4.7 23.2 1.0

J.W.Lamattina, S.Kapoor, I.Gouvea, A.Slovic, W.N.Lanzilotta. Open Form of E. Coli Yqhd To Be Published.