Zinc in PDB 8quc: Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT1

The structure of Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT1 also contains other interesting chemical elements:

Potassium

(K)

5 atoms

The binding sites of Zinc atom in the Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT1 (pdb code 8quc). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT1, PDB code: 8quc:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT1


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 Human KV3.1 in Complex with Modulator AUT1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn603 b:72.5 occ:1.00 ND1 A:HIS77 2.1 22.0 1.0 SG B:CYS83 2.3 49.1 1.0 SG A:CYS105 2.3 28.9 1.0 SG A:CYS104 2.3 33.5 1.0 CG A:HIS77 3.0 20.9 1.0 CE1 A:HIS77 3.1 16.1 1.0 CB B:CYS83 3.2 11.9 1.0 CB A:HIS77 3.3 15.7 1.0 CB A:CYS104 3.8 25.9 1.0 CB A:CYS105 3.8 28.4 1.0 CA A:HIS77 4.0 9.3 1.0 N A:CYS105 4.0 31.8 1.0 C A:CYS104 4.1 33.5 1.0 CD2 A:HIS77 4.2 19.4 1.0 NE2 A:HIS77 4.2 13.7 1.0 CA A:CYS105 4.4 25.6 1.0 O A:HOH703 4.4 7.7 1.0 O A:CYS104 4.4 38.5 1.0 N A:CYS78 4.4 21.3 1.0 CA A:CYS104 4.5 24.4 1.0 CA B:CYS83 4.6 18.5 1.0 CB A:GLU102 4.6 30.2 1.0 C A:HIS77 4.8 21.2 1.0 N B:CYS83 5.0 26.6 1.0

Zinc binding site 2 out of 4 in the Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT1


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 Human KV3.1 in Complex with Modulator AUT1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn603 b:72.5 occ:1.00 ND1 B:HIS77 2.1 22.0 1.0 SG C:CYS83 2.3 49.1 1.0 SG B:CYS105 2.3 28.9 1.0 SG B:CYS104 2.3 33.5 1.0 CG B:HIS77 3.0 20.9 1.0 CE1 B:HIS77 3.1 16.1 1.0 CB C:CYS83 3.1 11.9 1.0 CB B:HIS77 3.3 15.7 1.0 CB B:CYS104 3.8 25.9 1.0 CB B:CYS105 3.8 28.4 1.0 CA B:HIS77 4.0 9.3 1.0 N B:CYS105 4.0 31.8 1.0 C B:CYS104 4.1 33.5 1.0 CD2 B:HIS77 4.2 19.4 1.0 NE2 B:HIS77 4.2 13.7 1.0 CA B:CYS105 4.4 25.6 1.0 O B:HOH703 4.4 7.7 1.0 O B:CYS104 4.4 38.5 1.0 N B:CYS78 4.4 21.3 1.0 CA B:CYS104 4.5 24.4 1.0 CA C:CYS83 4.6 18.5 1.0 CB B:GLU102 4.6 30.2 1.0 C B:HIS77 4.8 21.2 1.0 N C:CYS83 4.9 26.6 1.0

Zinc binding site 3 out of 4 in the Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT1


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 Human KV3.1 in Complex with Modulator AUT1 within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn602 b:72.5 occ:1.00 ND1 D:HIS77 2.1 22.0 1.0 SG D:CYS105 2.3 28.9 1.0 SG D:CYS104 2.3 33.5 1.0 SG A:CYS83 2.3 49.1 1.0 CG D:HIS77 3.0 20.9 1.0 CE1 D:HIS77 3.1 16.1 1.0 CB A:CYS83 3.2 11.9 1.0 CB D:HIS77 3.3 15.7 1.0 CB D:CYS104 3.8 25.9 1.0 CB D:CYS105 3.8 28.4 1.0 CA D:HIS77 4.0 9.3 1.0 N D:CYS105 4.0 31.8 1.0 C D:CYS104 4.1 33.5 1.0 CD2 D:HIS77 4.2 19.4 1.0 NE2 D:HIS77 4.2 13.7 1.0 CA D:CYS105 4.4 25.6 1.0 O D:HOH703 4.4 7.7 1.0 O D:CYS104 4.4 38.5 1.0 N D:CYS78 4.4 21.3 1.0 CA D:CYS104 4.5 24.4 1.0 CB D:GLU102 4.6 30.2 1.0 CA A:CYS83 4.6 18.5 1.0 C D:HIS77 4.8 21.2 1.0

Zinc binding site 4 out of 4 in the Cryo-Em Structure of Human KV3.1 in Complex with Modulator AUT1


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 Human KV3.1 in Complex with Modulator AUT1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn602 b:72.5 occ:1.00 ND1 C:HIS77 2.1 22.0 1.0 SG C:CYS105 2.3 28.9 1.0 SG D:CYS83 2.3 49.1 1.0 SG C:CYS104 2.3 33.5 1.0 CG C:HIS77 3.0 20.9 1.0 CE1 C:HIS77 3.1 16.1 1.0 CB D:CYS83 3.2 11.9 1.0 CB C:HIS77 3.3 15.7 1.0 CB C:CYS104 3.8 25.9 1.0 CB C:CYS105 3.8 28.4 1.0 CA C:HIS77 4.0 9.3 1.0 N C:CYS105 4.0 31.8 1.0 C C:CYS104 4.1 33.5 1.0 CD2 C:HIS77 4.2 19.4 1.0 NE2 C:HIS77 4.2 13.7 1.0 CA C:CYS105 4.4 25.6 1.0 O C:HOH703 4.4 7.7 1.0 O C:CYS104 4.4 38.5 1.0 N C:CYS78 4.4 21.3 1.0 CA C:CYS104 4.5 24.4 1.0 CB C:GLU102 4.6 30.2 1.0 CA D:CYS83 4.6 18.5 1.0 C C:HIS77 4.8 21.2 1.0 N D:CYS83 5.0 26.6 1.0

Q.Liang, G.Chi, L.Cirqueira, L.Zhi, A.Marasco, N.Pilati, M.J.Gunthorpe, G.Alvaro, C.H.Large, D.B.Sauer, W.Treptow, M.Covarrubias. The Binding and Mechanism of A Positive Allosteric Modulator of KV3 Channels. Nat Commun V. 15 2533 2024.
ISSN: ESSN 2041-1723
PubMed: 38514618
DOI: 10.1038/S41467-024-46813-8