Zinc in PDB 8ihs: Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 in Complex with Ochratoxin A

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

Chlorine

(Cl)

8 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Zinc atom in the Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 in Complex with Ochratoxin A (pdb code 8ihs). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 16 binding sites of Zinc where determined in the Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 in Complex with Ochratoxin A, PDB code: 8ihs:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 16 in the Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 in Complex with Ochratoxin A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 in Complex with Ochratoxin A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn501 b:66.3 occ:1.00 OQ1 A:KCX210 2.3 35.4 1.0 NE2 A:HIS85 2.3 28.8 1.0 NE2 A:HIS83 2.3 23.3 1.0 OQ2 A:KCX210 3.0 37.8 1.0 CAA A:97U503 3.0 51.1 1.0 CX A:KCX210 3.0 37.7 1.0 CE1 A:HIS85 3.2 26.0 1.0 CAB A:97U503 3.2 52.7 1.0 CE1 A:HIS83 3.2 25.8 1.0 CD2 A:HIS83 3.3 22.7 1.0 CAN A:97U503 3.3 50.5 1.0 OD1 A:ASN344 3.3 41.7 1.0 OAX A:97U503 3.3 53.1 1.0 CD2 A:HIS85 3.4 26.9 1.0 CAF A:97U503 3.4 45.8 1.0 ND2 A:ASN344 3.6 27.6 1.0 CG A:ASN344 3.7 27.2 1.0 CAC A:97U503 3.8 56.3 1.0 CAE A:97U503 3.9 45.8 1.0 OBB A:97U503 4.0 52.3 1.0 ZN A:ZN502 4.0 63.3 1.0 CAD A:97U503 4.1 51.3 1.0 N A:97U503 4.2 51.7 1.0 NZ A:KCX210 4.3 39.5 1.0 ND1 A:HIS85 4.3 35.6 1.0 ND1 A:HIS83 4.3 34.1 1.0 CG A:HIS83 4.4 29.9 1.0 CG A:HIS85 4.5 36.6 1.0 NE2 A:HIS271 4.6 23.2 1.0 CE1 A:HIS271 4.8 29.3 1.0 CLA A:97U503 4.8 75.2 1.0 O A:LEU128 4.9 42.0 1.0 CAJ A:97U503 4.9 54.7 1.0 CB A:ASN344 4.9 26.5 1.0 CB A:LEU128 4.9 22.6 1.0 CE A:KCX210 5.0 30.3 1.0

Zinc binding site 2 out of 16 in the Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 in Complex with Ochratoxin A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 in Complex with Ochratoxin A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn502 b:63.3 occ:1.00 OAX A:97U503 1.8 53.1 1.0 OQ2 A:KCX210 1.9 37.8 1.0 ND1 A:HIS251 2.0 29.0 1.0 NE2 A:HIS271 2.2 23.2 1.0 CD2 A:HIS271 2.8 28.4 1.0 CG A:HIS251 3.0 23.9 1.0 CE1 A:HIS251 3.0 28.2 1.0 CAN A:97U503 3.1 50.5 1.0 CX A:KCX210 3.1 37.7 1.0 CB A:HIS251 3.3 22.5 1.0 CE1 A:HIS271 3.4 29.3 1.0 NZ A:KCX210 3.9 39.5 1.0 OQ1 A:KCX210 3.9 35.4 1.0 CAA A:97U503 4.0 51.1 1.0 N A:97U503 4.0 51.7 1.0 ZN A:ZN501 4.0 66.3 1.0 CAB A:97U503 4.0 52.7 1.0 CA A:97U503 4.0 49.3 1.0 CG A:HIS271 4.1 30.1 1.0 NE2 A:HIS251 4.1 25.9 1.0 CD2 A:HIS251 4.1 31.0 1.0 OXT A:97U503 4.2 50.8 1.0 CA A:HIS251 4.3 16.9 1.0 ND1 A:HIS271 4.3 36.5 1.0 CE1 A:HIS83 4.4 25.8 1.0 C A:97U503 4.5 48.0 1.0 ND2 A:ASN344 4.7 27.6 1.0 NE2 A:HIS83 4.8 23.3 1.0 NE2 A:HIS163 4.8 40.3 1.0 NE2 A:HIS253 4.9 34.5 1.0 CD2 A:HIS163 5.0 42.7 1.0 CB A:GLU270 5.0 21.7 1.0 CD1 A:97U503 5.0 43.3 1.0

Zinc binding site 3 out of 16 in the Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 in Complex with Ochratoxin A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 in Complex with Ochratoxin A within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn501 b:66.3 occ:1.00 OQ1 B:KCX210 2.3 35.4 1.0 NE2 B:HIS85 2.3 28.8 1.0 NE2 B:HIS83 2.3 23.3 1.0 OQ2 B:KCX210 3.0 37.8 1.0 CAA B:97U503 3.0 51.1 1.0 CX B:KCX210 3.0 37.7 1.0 CE1 B:HIS85 3.2 26.0 1.0 CE1 B:HIS83 3.2 25.8 1.0 CAB B:97U503 3.2 52.7 1.0 CD2 B:HIS83 3.3 22.7 1.0 CAN B:97U503 3.3 50.5 1.0 OD1 B:ASN344 3.3 41.7 1.0 OAX B:97U503 3.3 53.1 1.0 CD2 B:HIS85 3.4 26.9 1.0 CAF B:97U503 3.4 45.8 1.0 ND2 B:ASN344 3.6 27.6 1.0 CG B:ASN344 3.7 27.2 1.0 CAC B:97U503 3.8 56.3 1.0 CAE B:97U503 3.9 45.8 1.0 OBB B:97U503 4.0 52.3 1.0 ZN B:ZN502 4.0 63.3 1.0 CAD B:97U503 4.1 51.3 1.0 N B:97U503 4.2 51.7 1.0 NZ B:KCX210 4.3 39.5 1.0 ND1 B:HIS85 4.3 35.6 1.0 ND1 B:HIS83 4.3 34.1 1.0 CG B:HIS83 4.4 29.9 1.0 CG B:HIS85 4.5 36.6 1.0 NE2 B:HIS271 4.6 23.2 1.0 CE1 B:HIS271 4.8 29.3 1.0 O B:LEU128 4.9 42.0 1.0 CAJ B:97U503 4.9 54.7 1.0 CLA B:97U503 4.9 75.2 1.0 CB B:ASN344 4.9 26.5 1.0 CB B:LEU128 4.9 22.6 1.0 CE B:KCX210 5.0 30.3 1.0

Zinc binding site 4 out of 16 in the Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 in Complex with Ochratoxin A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 in Complex with Ochratoxin A within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn502 b:63.3 occ:1.00 OAX B:97U503 1.8 53.1 1.0 OQ2 B:KCX210 1.9 37.8 1.0 ND1 B:HIS251 2.0 29.0 1.0 NE2 B:HIS271 2.3 23.2 1.0 CD2 B:HIS271 2.9 28.4 1.0 CG B:HIS251 3.0 23.9 1.0 CE1 B:HIS251 3.0 28.2 1.0 CAN B:97U503 3.0 50.5 1.0 CX B:KCX210 3.1 37.7 1.0 CB B:HIS251 3.3 22.5 1.0 CE1 B:HIS271 3.5 29.3 1.0 NZ B:KCX210 3.9 39.5 1.0 CAA B:97U503 3.9 51.1 1.0 N B:97U503 3.9 51.7 1.0 OQ1 B:KCX210 3.9 35.4 1.0 CAB B:97U503 4.0 52.7 1.0 CA B:97U503 4.0 49.3 1.0 ZN B:ZN501 4.0 66.3 1.0 NE2 B:HIS251 4.1 25.9 1.0 CD2 B:HIS251 4.1 31.0 1.0 CG B:HIS271 4.2 30.1 1.0 OXT B:97U503 4.2 50.8 1.0 CA B:HIS251 4.3 16.9 1.0 ND1 B:HIS271 4.4 36.5 1.0 C B:97U503 4.5 48.0 1.0 CE1 B:HIS83 4.5 25.8 1.0 NE2 B:HIS163 4.7 40.3 1.0 ND2 B:ASN344 4.8 27.6 1.0 NE2 B:HIS83 4.9 23.3 1.0 CD2 B:HIS163 4.9 42.7 1.0 NE2 B:HIS253 4.9 34.5 1.0

Zinc binding site 5 out of 16 in the Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 in Complex with Ochratoxin A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 in Complex with Ochratoxin A within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn501 b:66.3 occ:1.00 OQ1 C:KCX210 2.3 35.4 1.0 NE2 C:HIS83 2.3 23.3 1.0 NE2 C:HIS85 2.3 28.8 1.0 OQ2 C:KCX210 3.0 37.8 1.0 CAA C:97U503 3.0 51.1 1.0 CX C:KCX210 3.0 37.7 1.0 CE1 C:HIS85 3.2 26.0 1.0 CE1 C:HIS83 3.2 25.8 1.0 CAB C:97U503 3.2 52.7 1.0 CD2 C:HIS83 3.3 22.7 1.0 CAN C:97U503 3.3 50.5 1.0 OAX C:97U503 3.3 53.1 1.0 OD1 C:ASN344 3.3 41.7 1.0 CD2 C:HIS85 3.4 26.9 1.0 CAF C:97U503 3.4 45.8 1.0 ND2 C:ASN344 3.6 27.6 1.0 CG C:ASN344 3.7 27.2 1.0 ZN C:ZN502 3.7 63.3 1.0 CAC C:97U503 3.8 56.3 1.0 CAE C:97U503 4.0 45.8 1.0 OBB C:97U503 4.0 52.3 1.0 CAD C:97U503 4.1 51.3 1.0 N C:97U503 4.2 51.7 1.0 NZ C:KCX210 4.3 39.5 1.0 ND1 C:HIS83 4.3 34.1 1.0 ND1 C:HIS85 4.3 35.6 1.0 CG C:HIS83 4.4 29.9 1.0 CG C:HIS85 4.5 36.6 1.0 NE2 C:HIS271 4.6 23.2 1.0 CE1 C:HIS271 4.8 29.3 1.0 O C:LEU128 4.9 42.0 1.0 CLA C:97U503 4.9 75.2 1.0 CB C:ASN344 4.9 26.5 1.0 CAJ C:97U503 4.9 54.7 1.0 CB C:LEU128 4.9 22.6 1.0 CE C:KCX210 5.0 30.3 1.0

Zinc binding site 6 out of 16 in the Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 in Complex with Ochratoxin A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 in Complex with Ochratoxin A within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn502 b:63.3 occ:1.00 OAX C:97U503 1.5 53.1 1.0 OQ2 C:KCX210 1.9 37.8 1.0 NE2 C:HIS271 2.3 23.2 1.0 ND1 C:HIS251 2.3 29.0 1.0 CAN C:97U503 2.7 50.5 1.0 CD2 C:HIS271 3.0 28.4 1.0 CX C:KCX210 3.1 37.7 1.0 CE1 C:HIS251 3.1 28.2 1.0 CG C:HIS251 3.4 23.9 1.0 CE1 C:HIS271 3.4 29.3 1.0 N C:97U503 3.6 51.7 1.0 CAA C:97U503 3.6 51.1 1.0 ZN C:ZN501 3.7 66.3 1.0 CA C:97U503 3.7 49.3 1.0 CAB C:97U503 3.8 52.7 1.0 OQ1 C:KCX210 3.8 35.4 1.0 CB C:HIS251 3.8 22.5 1.0 NZ C:KCX210 4.0 39.5 1.0 OXT C:97U503 4.1 50.8 1.0 CG C:HIS271 4.3 30.1 1.0 C C:97U503 4.3 48.0 1.0 NE2 C:HIS251 4.3 25.9 1.0 CE1 C:HIS83 4.4 25.8 1.0 ND1 C:HIS271 4.4 36.5 1.0 ND2 C:ASN344 4.4 27.6 1.0 CD2 C:HIS251 4.5 31.0 1.0 NE2 C:HIS163 4.6 40.3 1.0 NE2 C:HIS83 4.7 23.3 1.0 CA C:HIS251 4.8 16.9 1.0 CD1 C:97U503 4.8 43.3 1.0 CAF C:97U503 4.9 45.8 1.0 CD2 C:HIS163 4.9 42.7 1.0

Zinc binding site 7 out of 16 in the Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 in Complex with Ochratoxin A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 in Complex with Ochratoxin A within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn501 b:66.3 occ:1.00 OQ1 D:KCX210 2.3 35.4 1.0 NE2 D:HIS85 2.3 28.8 1.0 NE2 D:HIS83 2.3 23.3 1.0 OQ2 D:KCX210 3.0 37.8 1.0 CAA D:97U503 3.0 51.1 1.0 CX D:KCX210 3.0 37.7 1.0 CE1 D:HIS85 3.2 26.0 1.0 CE1 D:HIS83 3.2 25.8 1.0 CAB D:97U503 3.2 52.7 1.0 CD2 D:HIS83 3.3 22.7 1.0 CAN D:97U503 3.3 50.5 1.0 OAX D:97U503 3.3 53.1 1.0 OD1 D:ASN344 3.3 41.7 1.0 CD2 D:HIS85 3.4 26.9 1.0 CAF D:97U503 3.4 45.8 1.0 ND2 D:ASN344 3.6 27.6 1.0 CG D:ASN344 3.7 27.2 1.0 CAC D:97U503 3.8 56.3 1.0 CAE D:97U503 4.0 45.8 1.0 OBB D:97U503 4.0 52.3 1.0 CAD D:97U503 4.1 51.3 1.0 ZN D:ZN502 4.2 63.3 1.0 N D:97U503 4.2 51.7 1.0 NZ D:KCX210 4.3 39.5 1.0 ND1 D:HIS83 4.3 34.1 1.0 ND1 D:HIS85 4.3 35.6 1.0 CG D:HIS83 4.4 29.9 1.0 CG D:HIS85 4.5 36.6 1.0 NE2 D:HIS271 4.6 23.2 1.0 CE1 D:HIS271 4.8 29.3 1.0 O D:LEU128 4.9 42.0 1.0 CLA D:97U503 4.9 75.2 1.0 CB D:ASN344 4.9 26.5 1.0 CAJ D:97U503 4.9 54.7 1.0 CB D:LEU128 4.9 22.6 1.0 CE D:KCX210 5.0 30.3 1.0

Zinc binding site 8 out of 16 in the Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 in Complex with Ochratoxin A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 in Complex with Ochratoxin A within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn502 b:63.3 occ:1.00 ND1 D:HIS251 1.9 29.0 1.0 OQ2 D:KCX210 2.0 37.8 1.0 OAX D:97U503 2.0 53.1 1.0 NE2 D:HIS271 2.3 23.2 1.0 CD2 D:HIS271 2.8 28.4 1.0 CE1 D:HIS251 2.8 28.2 1.0 CG D:HIS251 2.9 23.9 1.0 CX D:KCX210 3.2 37.7 1.0 CAN D:97U503 3.2 50.5 1.0 CB D:HIS251 3.3 22.5 1.0 CE1 D:HIS271 3.5 29.3 1.0 NZ D:KCX210 3.9 39.5 1.0 NE2 D:HIS251 4.0 25.9 1.0 CD2 D:HIS251 4.0 31.0 1.0 OQ1 D:KCX210 4.0 35.4 1.0 CG D:HIS271 4.1 30.1 1.0 N D:97U503 4.1 51.7 1.0 CAA D:97U503 4.1 51.1 1.0 CA D:97U503 4.1 49.3 1.0 ZN D:ZN501 4.2 66.3 1.0 CAB D:97U503 4.2 52.7 1.0 CA D:HIS251 4.2 16.9 1.0 OXT D:97U503 4.2 50.8 1.0 ND1 D:HIS271 4.4 36.5 1.0 CE1 D:HIS83 4.5 25.8 1.0 C D:97U503 4.6 48.0 1.0 NE2 D:HIS163 4.8 40.3 1.0 ND2 D:ASN344 4.9 27.6 1.0 NE2 D:HIS83 4.9 23.3 1.0 CD2 D:HIS163 4.9 42.7 1.0 CB D:GLU270 4.9 21.7 1.0 NE2 D:HIS253 5.0 34.5 1.0

Zinc binding site 9 out of 16 in the Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 in Complex with Ochratoxin A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 in Complex with Ochratoxin A within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn501 b:66.3 occ:1.00 OQ2 E:KCX210 2.3 35.4 1.0 NE2 E:HIS85 2.3 28.8 1.0 NE2 E:HIS83 2.3 23.3 1.0 OQ1 E:KCX210 3.0 37.8 1.0 CX E:KCX210 3.0 37.7 1.0 CAA E:97U503 3.0 51.1 1.0 CE1 E:HIS85 3.2 26.0 1.0 CE1 E:HIS83 3.2 25.8 1.0 CD2 E:HIS83 3.3 22.7 1.0 CAB E:97U503 3.3 52.7 1.0 CAN E:97U503 3.3 50.5 1.0 OD1 E:ASN344 3.3 41.7 1.0 CD2 E:HIS85 3.4 26.9 1.0 OAX E:97U503 3.4 53.1 1.0 CAF E:97U503 3.4 45.8 1.0 ND2 E:ASN344 3.6 27.6 1.0 CG E:ASN344 3.7 27.2 1.0 CAC E:97U503 3.9 56.3 1.0 OBB E:97U503 4.0 52.3 1.0 CAE E:97U503 4.0 45.8 1.0 CAD E:97U503 4.2 51.3 1.0 N E:97U503 4.2 51.7 1.0 NZ E:KCX210 4.3 39.5 1.0 ZN E:ZN502 4.3 63.3 1.0 ND1 E:HIS83 4.3 34.1 1.0 ND1 E:HIS85 4.3 35.6 1.0 CG E:HIS83 4.4 29.9 1.0 CG E:HIS85 4.5 36.6 1.0 NE2 E:HIS271 4.6 23.2 1.0 CE1 E:HIS271 4.8 29.3 1.0 O E:LEU128 4.9 42.0 1.0 CB E:ASN344 4.9 26.5 1.0 CAJ E:97U503 4.9 54.7 1.0 CB E:LEU128 4.9 22.6 1.0 CLA E:97U503 5.0 75.2 1.0 CE E:KCX210 5.0 30.3 1.0

Zinc binding site 10 out of 16 in the Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 in Complex with Ochratoxin A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of Cryo-Em Structure of Ochratoxin A-Detoxifying Amidohydrolase ADH3 in Complex with Ochratoxin A within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn502 b:63.3 occ:1.00 ND1 E:HIS251 1.8 29.0 1.0 OAX E:97U503 2.0 53.1 1.0 NE2 E:HIS271 2.2 23.2 1.0 OQ1 E:KCX210 2.2 37.8 1.0 CD2 E:HIS271 2.6 28.4 1.0 CE1 E:HIS251 2.7 28.2 1.0 CG E:HIS251 2.9 23.9 1.0 CAN E:97U503 3.2 50.5 1.0 CX E:KCX210 3.4 37.7 1.0 CE1 E:HIS271 3.4 29.3 1.0 CB E:HIS251 3.4 22.5 1.0 NE2 E:HIS251 3.8 25.9 1.0 CG E:HIS271 3.9 30.1 1.0 CA E:97U503 3.9 49.3 1.0 CD2 E:HIS251 4.0 31.0 1.0 N E:97U503 4.0 51.7 1.0 OXT E:97U503 4.0 50.8 1.0 NZ E:KCX210 4.1 39.5 1.0 CAA E:97U503 4.2 51.1 1.0 OQ2 E:KCX210 4.3 35.4 1.0 ND1 E:HIS271 4.3 36.5 1.0 CA E:HIS251 4.3 16.9 1.0 ZN E:ZN501 4.3 66.3 1.0 CAB E:97U503 4.3 52.7 1.0 C E:97U503 4.4 48.0 1.0 CE1 E:HIS83 4.7 25.8 1.0 NE2 E:HIS253 4.7 34.5 1.0 NE2 E:HIS163 4.8 40.3 1.0 CD1 E:97U503 4.8 43.3 1.0 ND2 E:ASN344 4.9 27.6 1.0 CD2 E:HIS163 4.9 42.7 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