Chlorine in PDB 7wmk: Pqq-Dependent Alcohol Dehydrogenase Complexed with Pqq

The structure of Pqq-Dependent Alcohol Dehydrogenase Complexed with Pqq, PDB code: 7wmk was solved by M.Chen, H.Yang, F.Lv, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.15 / 1.47
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	109.973, 91.19, 57.332, 90, 103.78, 90
R / Rfree (%)	13.8 / 14

The structure of Pqq-Dependent Alcohol Dehydrogenase Complexed with Pqq also contains other interesting chemical elements:

Calcium	(Ca)	3 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Pqq-Dependent Alcohol Dehydrogenase Complexed with Pqq (pdb code 7wmk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Pqq-Dependent Alcohol Dehydrogenase Complexed with Pqq, PDB code: 7wmk:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Pqq-Dependent Alcohol Dehydrogenase Complexed with Pqq


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pqq-Dependent Alcohol Dehydrogenase Complexed with Pqq within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl609 b:30.9 occ:1.00 CA A:CA607 2.5 9.0 1.0 HB1 A:ALA158 2.9 20.5 1.0 HZ2 A:LYS137 3.2 28.5 1.0 HA A:ALA158 3.5 19.2 1.0 CL A:CL610 3.5 56.6 1.0 CB A:ALA158 3.6 17.1 1.0 HB2 A:ALA158 3.6 20.5 1.0 O A:HOH714 3.7 30.1 1.0 HZ1 A:LYS137 3.8 28.5 1.0 HE3 A:LYS137 3.8 23.6 1.0 NZ A:LYS137 3.9 23.8 1.0 CA A:ALA158 4.0 16.0 1.0 CE A:LYS137 4.4 19.7 1.0 HB3 A:ALA158 4.4 20.5 1.0 HB2 A:ASP151 4.5 19.5 1.0 HZ3 A:LYS137 4.6 28.5 1.0 HE2 A:LYS137 4.7 23.6 1.0 O A:ALA158 4.8 16.6 1.0 C A:ALA158 4.8 15.8 1.0 O A:ACT603 4.8 25.4 1.0

Chlorine binding site 2 out of 2 in the Pqq-Dependent Alcohol Dehydrogenase Complexed with Pqq


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Pqq-Dependent Alcohol Dehydrogenase Complexed with Pqq within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl610 b:56.6 occ:1.00 CA A:CA607 2.3 9.0 1.0 O A:ALA158 2.7 16.6 1.0 HA A:ALA158 3.2 19.2 1.0 CL A:CL609 3.5 30.9 1.0 C A:ALA158 3.6 15.8 1.0 CA A:ALA158 3.8 16.0 1.0 HB1 A:ALA158 4.1 20.5 1.0 CB A:ALA158 4.5 17.1 1.0 O A:LEU157 4.5 17.8 1.0 HB3 A:TRP159 4.7 18.8 1.0 N A:TRP159 4.9 15.3 1.0

H.Yang, R.Yan, Y.Li, Z.Lu, X.Bie, H.Zhao, F.Lu, M.Chen. Structure-Function Analysis of A Quinone-Dependent Dehydrogenase Capable of Deoxynivalenol Detoxification. J.Agric.Food Chem. V. 70 6764 2022.
ISSN: ESSN 1520-5118
PubMed: 35613468
DOI: 10.1021/ACS.JAFC.2C01083