Chlorine in PDB 8hwn: Aldo-Keto Reductase Depb

The structure of Aldo-Keto Reductase Depb, PDB code: 8hwn was solved by M.Chen, H.Yang, F.Lu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.72 / 2.70
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	83.2, 98.288, 174.785, 90, 90, 90
R / Rfree (%)	23.5 / 30.6

The structure of Aldo-Keto Reductase Depb also contains other interesting chemical elements:

Sodium

(Na)

7 atoms

The binding sites of Chlorine atom in the Aldo-Keto Reductase Depb (pdb code 8hwn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Aldo-Keto Reductase Depb, PDB code: 8hwn:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Aldo-Keto Reductase Depb


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Aldo-Keto Reductase Depb within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:62.0 occ:1.00 CA B:GLY7 3.3 27.9 1.0 N B:GLY7 3.7 43.6 1.0 O B:GLY7 3.9 50.0 1.0 C B:GLY7 4.1 42.5 1.0 CG2 B:THR176 4.4 29.9 1.0 CZ B:PHE46 4.6 41.2 1.0 CG2 B:VAL175 4.7 33.1 1.0 OG B:SER9 4.7 35.8 1.0 CD2 B:LEU118 4.7 34.1 1.0 CG1 B:VAL13 4.8 41.4 1.0 O B:THR11 4.8 42.2 1.0 CB B:VAL13 4.9 40.2 1.0 C B:LEU6 5.0 41.9 1.0

Chlorine binding site 2 out of 6 in the Aldo-Keto Reductase Depb


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Aldo-Keto Reductase Depb within 5.0Å range:

Chlorine binding site 3 out of 6 in the Aldo-Keto Reductase Depb


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Aldo-Keto Reductase Depb within 5.0Å range:

Chlorine binding site 4 out of 6 in the Aldo-Keto Reductase Depb


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Aldo-Keto Reductase Depb within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:74.1 occ:1.00 NA A:NA402 3.2 57.5 1.0

Chlorine binding site 5 out of 6 in the Aldo-Keto Reductase Depb


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Aldo-Keto Reductase Depb within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:53.0 occ:1.00 NH1 A:ARG135 2.6 36.6 1.0 CD A:ARG135 3.1 33.3 1.0 CZ2 A:TRP171 3.3 33.4 1.0 CG A:ARG135 3.4 29.4 1.0 CZ A:ARG135 3.6 34.0 1.0 NE A:ARG135 3.8 31.5 1.0 CB A:ARG135 3.8 29.9 1.0 CH2 A:TRP171 3.9 34.1 1.0 CE2 A:TRP171 4.4 35.6 1.0 NH2 A:ARG135 4.8 36.1 1.0 NE1 A:TRP171 4.9 33.3 1.0 CA A:ARG135 4.9 28.2 1.0

Chlorine binding site 6 out of 6 in the Aldo-Keto Reductase Depb


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Aldo-Keto Reductase Depb within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:71.7 occ:1.00 O A:HOH518 2.3 42.5 1.0 N A:GLY7 3.0 53.1 1.0 CA A:GLY7 3.0 38.3 1.0 OG A:SER9 3.5 39.8 1.0 O A:THR11 3.6 44.8 1.0 O A:GLY7 3.6 54.3 1.0 C A:GLY7 3.7 44.2 1.0 C A:LEU6 4.1 46.6 1.0 CG1 A:VAL13 4.4 34.9 1.0 C A:THR11 4.5 39.4 1.0 CB A:THR11 4.7 33.0 1.0 CA A:LEU6 4.7 42.9 1.0 CG2 A:VAL13 4.8 33.2 1.0 O A:LEU6 4.8 48.9 1.0 CG2 A:VAL175 4.8 34.3 1.0 N A:ASN8 4.9 38.8 1.0 CB A:SER9 4.9 39.2 1.0

H.Yang, F.Lu, M.Chen. The Structure of Depb Capable of Don Detoxification To Be Published.