Zinc in PDB 8fnj: Structure of E138K/G140A Hiv-1 Intasome with Dolutegravir Bound

The structure of Structure of E138K/G140A Hiv-1 Intasome with Dolutegravir Bound also contains other interesting chemical elements:

Fluorine	(F)	4 atoms
Magnesium	(Mg)	4 atoms

The binding sites of Zinc atom in the Structure of E138K/G140A Hiv-1 Intasome with Dolutegravir Bound (pdb code 8fnj). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of E138K/G140A Hiv-1 Intasome with Dolutegravir Bound, PDB code: 8fnj:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structure of E138K/G140A Hiv-1 Intasome with Dolutegravir Bound


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of E138K/G140A Hiv-1 Intasome with Dolutegravir Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn303 b:82.6 occ:1.00 ND1 A:HIS16 2.1 50.1 1.0 SG A:CYS40 2.1 53.8 1.0 NE2 A:HIS12 2.1 55.0 1.0 SG A:CYS43 2.4 57.1 1.0 CE1 A:HIS12 2.8 50.4 1.0 CB A:CYS40 3.0 55.5 1.0 CE1 A:HIS16 3.0 43.3 1.0 CD2 A:HIS12 3.1 46.2 1.0 CG A:HIS16 3.1 46.0 1.0 CB A:CYS43 3.3 52.8 1.0 CB A:HIS16 3.5 43.0 1.0 ND1 A:HIS12 3.9 53.1 1.0 CA A:HIS16 3.9 39.9 1.0 N A:CYS43 4.0 46.6 1.0 CG A:HIS12 4.0 53.1 1.0 NE2 A:HIS16 4.1 42.8 1.0 CA A:CYS43 4.1 48.1 1.0 CD2 A:HIS16 4.2 39.6 1.0 O A:HOH495 4.2 59.7 1.0 C A:LYS42 4.4 53.7 1.0 CA A:CYS40 4.4 56.4 1.0 NE2 G:GLN164 4.5 48.1 1.0 CB A:LYS42 4.6 52.4 1.0 O A:HIS12 4.7 59.3 1.0 O A:CYS40 4.8 56.4 1.0 C A:CYS40 4.8 57.4 1.0 C A:HIS16 4.8 45.4 1.0 O A:LYS42 4.9 61.4 1.0 CA A:LYS42 4.9 55.7 1.0 N A:LYS42 5.0 54.8 1.0

Zinc binding site 2 out of 2 in the Structure of E138K/G140A Hiv-1 Intasome with Dolutegravir Bound


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of E138K/G140A Hiv-1 Intasome with Dolutegravir Bound within 5.0Å range: probe atom residue distance (Å) B Occ G:Zn303 b:82.6 occ:1.00 ND1 G:HIS16 2.1 50.1 1.0 SG G:CYS40 2.1 53.8 1.0 NE2 G:HIS12 2.1 55.0 1.0 SG G:CYS43 2.4 57.1 1.0 CE1 G:HIS12 2.8 50.4 1.0 CB G:CYS40 3.0 55.5 1.0 CE1 G:HIS16 3.0 43.3 1.0 CD2 G:HIS12 3.1 46.2 1.0 CG G:HIS16 3.1 46.0 1.0 CB G:CYS43 3.3 52.8 1.0 CB G:HIS16 3.5 43.0 1.0 ND1 G:HIS12 3.9 53.1 1.0 CA G:HIS16 3.9 39.9 1.0 N G:CYS43 4.0 46.6 1.0 CG G:HIS12 4.0 53.1 1.0 NE2 G:HIS16 4.1 42.8 1.0 CA G:CYS43 4.1 48.1 1.0 CD2 G:HIS16 4.2 39.6 1.0 O G:HOH495 4.2 59.7 1.0 C G:LYS42 4.4 53.7 1.0 CA G:CYS40 4.4 56.4 1.0 NE2 A:GLN164 4.5 48.1 1.0 CB G:LYS42 4.6 52.4 1.0 O G:HIS12 4.7 59.3 1.0 O G:CYS40 4.8 56.4 1.0 C G:CYS40 4.8 57.4 1.0 C G:HIS16 4.8 45.4 1.0 O G:LYS42 4.9 61.4 1.0 CA G:LYS42 4.9 55.7 1.0 N G:LYS42 5.0 54.8 1.0

M.Li, D.Oliveira Passos, Z.Shan, S.J.Smith, Q.Sun, A.Biswas, I.Choudhuri, T.S.Strutzenberg, A.Haldane, N.Deng, Z.Li, X.Z.Zhao, L.Briganti, M.Kvaratskhelia, T.R.Burke Jr., R.M.Levy, S.H.Hughes, R.Craigie, D.Lyumkis. Mechanisms of Hiv-1 Integrase Resistance to Dolutegravir and Potent Inhibition of Drug-Resistant Variants. Sci Adv V. 9 G5953 2023.
ISSN: ESSN 2375-2548
PubMed: 37478179
DOI: 10.1126/SCIADV.ADG5953