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

Protein crystallography data

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

Other elements in 7wmk:

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

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

Chlorine Binding Sites:

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 7wmk

Go back to Chlorine Binding Sites List in 7wmk
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 7wmk

Go back to Chlorine Binding Sites List in 7wmk
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

Reference:

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
Page generated: Sun Jul 13 08:19:18 2025

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