Chlorine in PDB 8j85: Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 Mutant S88E in Complex with Ochratoxin A

The structure of Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 Mutant S88E in Complex with Ochratoxin A also contains other interesting chemical elements:

Zinc

(Zn)

16 atoms

The binding sites of Chlorine atom in the Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 Mutant S88E in Complex with Ochratoxin A (pdb code 8j85). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 Mutant S88E in Complex with Ochratoxin A, PDB code: 8j85:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in the Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 Mutant S88E in Complex with Ochratoxin A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 Mutant S88E in Complex with Ochratoxin A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:70.5 occ:1.00 CLA A:97U503 0.0 70.5 1.0 CAC A:97U503 1.7 57.0 1.0 CAD A:97U503 2.7 52.6 1.0 CAB A:97U503 2.7 52.8 1.0 CAG A:97U503 2.9 50.9 1.0 OG A:SER156 3.5 52.2 1.0 CAE A:97U503 4.0 54.5 1.0 CAA A:97U503 4.0 43.9 1.0 OQ2 A:KCX210 4.0 45.8 1.0 CB A:ALA164 4.2 32.9 1.0 CX A:KCX210 4.2 52.7 1.0 CB A:SER156 4.3 39.2 1.0 NZ A:KCX210 4.3 51.0 1.0 CAH A:97U503 4.3 60.1 1.0 CAF A:97U503 4.5 49.1 1.0 CG2 A:THR212 4.5 35.0 1.0 O A:LEU128 4.5 49.3 1.0 CD2 A:HIS163 4.9 37.7 1.0 OQ1 A:KCX210 4.9 48.8 1.0 CA A:ALA164 4.9 33.4 1.0

Chlorine binding site 2 out of 8 in the Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 Mutant S88E in Complex with Ochratoxin A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 Mutant S88E in Complex with Ochratoxin A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:70.8 occ:1.00 CLA B:97U503 0.0 70.8 1.0 CAC B:97U503 1.7 57.8 1.0 CAD B:97U503 2.7 53.1 1.0 CAB B:97U503 2.7 53.4 1.0 CAG B:97U503 2.9 51.4 1.0 OG B:SER156 3.5 52.9 1.0 CAE B:97U503 4.0 54.6 1.0 CAA B:97U503 4.0 45.1 1.0 OQ2 B:KCX210 4.0 46.1 1.0 CB B:ALA164 4.2 33.8 1.0 CX B:KCX210 4.3 53.1 1.0 CB B:SER156 4.3 39.5 1.0 CAH B:97U503 4.3 60.2 1.0 NZ B:KCX210 4.3 51.4 1.0 CAF B:97U503 4.5 49.8 1.0 CG2 B:THR212 4.5 36.2 1.0 O B:LEU128 4.5 50.2 1.0 CD2 B:HIS163 4.9 38.7 1.0 CA B:ALA164 4.9 33.9 1.0 OQ1 B:KCX210 4.9 49.9 1.0

Chlorine binding site 3 out of 8 in the Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 Mutant S88E in Complex with Ochratoxin A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 Mutant S88E in Complex with Ochratoxin A within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl503 b:71.5 occ:1.00 CLA C:97U503 0.0 71.5 1.0 CAC C:97U503 1.7 57.5 1.0 CAD C:97U503 2.7 53.2 1.0 CAB C:97U503 2.7 53.1 1.0 CAG C:97U503 2.9 51.6 1.0 OG C:SER156 3.5 52.7 1.0 CAE C:97U503 4.0 54.6 1.0 CAA C:97U503 4.0 44.4 1.0 OQ2 C:KCX210 4.0 47.0 1.0 CB C:ALA164 4.2 32.6 1.0 CB C:SER156 4.2 39.2 1.0 CX C:KCX210 4.2 53.1 1.0 CAH C:97U503 4.3 60.5 1.0 NZ C:KCX210 4.3 50.9 1.0 CAF C:97U503 4.5 49.3 1.0 CG2 C:THR212 4.5 34.8 1.0 O C:LEU128 4.5 49.5 1.0 CD2 C:HIS163 4.9 37.6 1.0 CA C:ALA164 4.9 33.4 1.0 OQ1 C:KCX210 4.9 49.2 1.0

Chlorine binding site 4 out of 8 in the Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 Mutant S88E in Complex with Ochratoxin A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 Mutant S88E in Complex with Ochratoxin A within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl503 b:70.1 occ:1.00 CLA D:97U503 0.0 70.1 1.0 CAC D:97U503 1.7 57.6 1.0 CAD D:97U503 2.7 53.4 1.0 CAB D:97U503 2.7 52.8 1.0 CAG D:97U503 2.9 51.5 1.0 OG D:SER156 3.5 51.6 1.0 CAE D:97U503 4.0 54.8 1.0 CAA D:97U503 4.0 44.4 1.0 OQ2 D:KCX210 4.0 47.0 1.0 CB D:ALA164 4.2 33.6 1.0 CX D:KCX210 4.2 53.7 1.0 CB D:SER156 4.3 38.0 1.0 CAH D:97U503 4.3 60.1 1.0 NZ D:KCX210 4.3 51.6 1.0 CAF D:97U503 4.5 49.3 1.0 CG2 D:THR212 4.5 35.5 1.0 O D:LEU128 4.5 50.1 1.0 CD2 D:HIS163 4.9 37.9 1.0 CA D:ALA164 4.9 32.5 1.0 OQ1 D:KCX210 4.9 49.9 1.0

Chlorine binding site 5 out of 8 in the Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 Mutant S88E in Complex with Ochratoxin A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 Mutant S88E in Complex with Ochratoxin A within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl503 b:70.5 occ:1.00 CLA E:97U503 0.0 70.5 1.0 CAC E:97U503 1.7 57.0 1.0 CAD E:97U503 2.7 52.6 1.0 CAB E:97U503 2.7 52.8 1.0 CAG E:97U503 2.9 50.9 1.0 OG E:SER156 3.5 52.2 1.0 CAE E:97U503 4.0 54.5 1.0 CAA E:97U503 4.0 43.9 1.0 OQ1 E:KCX210 4.0 45.8 1.0 CB E:ALA164 4.2 32.9 1.0 CX E:KCX210 4.2 52.7 1.0 CB E:SER156 4.3 39.2 1.0 NZ E:KCX210 4.3 51.0 1.0 CAH E:97U503 4.3 60.1 1.0 CAF E:97U503 4.5 49.1 1.0 CG2 E:THR212 4.5 35.0 1.0 O E:LEU128 4.5 49.3 1.0 CD2 E:HIS163 4.9 37.7 1.0 OQ2 E:KCX210 4.9 48.8 1.0 CA E:ALA164 4.9 33.4 1.0

Chlorine binding site 6 out of 8 in the Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 Mutant S88E in Complex with Ochratoxin A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 Mutant S88E in Complex with Ochratoxin A within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl503 b:70.8 occ:1.00 CLA F:97U503 0.0 70.8 1.0 CAC F:97U503 1.7 57.8 1.0 CAD F:97U503 2.7 53.1 1.0 CAB F:97U503 2.7 53.4 1.0 CAG F:97U503 2.9 51.4 1.0 OG F:SER156 3.5 52.9 1.0 CAE F:97U503 4.0 54.6 1.0 CAA F:97U503 4.0 45.1 1.0 OQ1 F:KCX210 4.0 46.1 1.0 CB F:ALA164 4.2 33.8 1.0 CX F:KCX210 4.3 53.1 1.0 CB F:SER156 4.3 39.5 1.0 CAH F:97U503 4.3 60.2 1.0 NZ F:KCX210 4.3 51.4 1.0 CAF F:97U503 4.5 49.8 1.0 CG2 F:THR212 4.5 36.2 1.0 O F:LEU128 4.5 50.2 1.0 CD2 F:HIS163 4.9 38.7 1.0 CA F:ALA164 4.9 33.9 1.0 OQ2 F:KCX210 4.9 49.9 1.0

Chlorine binding site 7 out of 8 in the Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 Mutant S88E in Complex with Ochratoxin A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 Mutant S88E in Complex with Ochratoxin A within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl503 b:71.5 occ:1.00 CLA G:97U503 0.0 71.5 1.0 CAC G:97U503 1.7 57.5 1.0 CAD G:97U503 2.7 53.2 1.0 CAB G:97U503 2.7 53.1 1.0 CAG G:97U503 2.9 51.6 1.0 OG G:SER156 3.5 52.7 1.0 CAE G:97U503 4.0 54.6 1.0 CAA G:97U503 4.0 44.4 1.0 OQ1 G:KCX210 4.0 47.0 1.0 CB G:ALA164 4.2 32.6 1.0 CX G:KCX210 4.2 53.1 1.0 CB G:SER156 4.2 39.2 1.0 CAH G:97U503 4.3 60.5 1.0 NZ G:KCX210 4.3 50.9 1.0 CAF G:97U503 4.5 49.3 1.0 CG2 G:THR212 4.5 34.8 1.0 O G:LEU128 4.5 49.5 1.0 CD2 G:HIS163 4.9 37.6 1.0 CA G:ALA164 4.9 33.4 1.0 OQ2 G:KCX210 4.9 49.2 1.0

Chlorine binding site 8 out of 8 in the Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 Mutant S88E in Complex with Ochratoxin A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 Mutant S88E in Complex with Ochratoxin A within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl503 b:70.1 occ:1.00 CLA H:97U503 0.0 70.1 1.0 CAC H:97U503 1.7 57.6 1.0 CAD H:97U503 2.7 53.4 1.0 CAB H:97U503 2.7 52.8 1.0 CAG H:97U503 2.9 51.5 1.0 OG H:SER156 3.5 51.6 1.0 CAE H:97U503 4.0 54.8 1.0 CAA H:97U503 4.0 44.4 1.0 OQ1 H:KCX210 4.0 47.0 1.0 CB H:ALA164 4.2 33.6 1.0 CX H:KCX210 4.2 53.7 1.0 CB H:SER156 4.3 38.0 1.0 CAH H:97U503 4.3 60.1 1.0 NZ H:KCX210 4.3 51.6 1.0 CAF H:97U503 4.5 49.3 1.0 CG2 H:THR212 4.5 35.5 1.0 O H:LEU128 4.5 50.1 1.0 CD2 H:HIS163 4.9 37.9 1.0 CA H:ALA164 4.9 32.5 1.0 OQ2 H:KCX210 4.9 49.9 1.0

L.Dai, D.Niu, J.W.Huang, X.Li, P.Shen, H.Li, Z.Xie, J.Min, Y.Hu, Y.Yang, R.T.Guo, C.C.Chen. Cryo-Em Structure and Rational Engineering of A Superefficient Ochratoxin A-Detoxifying Amidohydrolase. J Hazard Mater V. 458 31836 2023.
ISSN: ESSN 1873-3336
PubMed: 37331057
DOI: 10.1016/J.JHAZMAT.2023.131836