Magnesium in PDB 8fnq: Structure of E138K/G140A/Q148K Hiv-1 Intasome with 4D Bound

The structure of Structure of E138K/G140A/Q148K Hiv-1 Intasome with 4D Bound also contains other interesting chemical elements:

Zinc	(Zn)	2 atoms
Fluorine	(F)	4 atoms

The binding sites of Magnesium atom in the Structure of E138K/G140A/Q148K Hiv-1 Intasome with 4D Bound (pdb code 8fnq). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Structure of E138K/G140A/Q148K Hiv-1 Intasome with 4D Bound, PDB code: 8fnq:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Structure of E138K/G140A/Q148K Hiv-1 Intasome with 4D Bound


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of E138K/G140A/Q148K Hiv-1 Intasome with 4D Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:36.5 occ:1.00 OAX A:OZ1301 1.9 27.1 1.0 O A:HOH432 1.9 17.4 1.0 O A:HOH401 2.0 16.8 1.0 OD2 A:ASP116 2.1 30.7 1.0 OD1 A:ASP64 2.1 21.1 1.0 NAS A:OZ1301 2.3 22.0 1.0 NAU A:OZ1301 2.8 21.8 1.0 CAT A:OZ1301 2.9 25.5 1.0 CG A:ASP64 3.0 18.3 1.0 OD2 A:ASP64 3.2 24.2 1.0 CG A:ASP116 3.2 24.6 1.0 CAR A:OZ1301 3.4 20.8 1.0 MG A:MG303 3.6 17.7 1.0 OD1 A:ASP116 3.8 30.9 1.0 CAV A:OZ1301 4.0 21.0 1.0 O A:HOH413 4.1 30.0 1.0 O A:HOH412 4.2 23.1 1.0 O A:CYS65 4.2 35.6 1.0 CAO A:OZ1301 4.3 21.9 1.0 NZ A:LYS148 4.3 23.3 1.0 OE2 A:GLU152 4.3 25.3 1.0 N1 F:DA21 4.4 29.0 0.8 CE A:LYS148 4.4 26.1 1.0 CB A:ASP64 4.4 19.2 1.0 OAW A:OZ1301 4.4 29.8 1.0 CB A:ASP116 4.5 20.2 1.0 N A:CYS65 4.5 26.5 1.0 CAQ A:OZ1301 4.6 28.4 1.0 C2 F:DA21 4.6 26.1 0.8 CA A:ASP64 4.8 15.9 1.0 CAP A:OZ1301 5.0 21.2 1.0

Magnesium binding site 2 out of 4 in the Structure of E138K/G140A/Q148K Hiv-1 Intasome with 4D Bound


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of E138K/G140A/Q148K Hiv-1 Intasome with 4D Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:17.7 occ:1.00 OE2 A:GLU152 2.0 25.3 1.0 OAX A:OZ1301 2.1 27.1 1.0 OE1 A:GLU152 2.1 21.6 1.0 OD2 A:ASP64 2.1 24.2 1.0 OAW A:OZ1301 2.1 29.8 1.0 O A:HOH412 2.1 23.1 1.0 CD A:GLU152 2.3 22.1 1.0 NAU A:OZ1301 2.8 21.8 1.0 CAV A:OZ1301 2.9 21.0 1.0 CG A:ASP64 3.2 18.3 1.0 ND2 A:ASN155 3.5 17.4 1.0 MG A:MG302 3.6 36.5 1.0 OD1 A:ASP64 3.7 21.1 1.0 CG A:GLU152 3.9 23.7 1.0 C5' F:DA21 4.1 26.2 0.2 CAT A:OZ1301 4.1 25.5 1.0 FAH A:OZ1301 4.2 33.5 1.0 CAM A:OZ1301 4.2 19.6 1.0 NZ A:LYS148 4.2 23.3 1.0 OP1 F:DA21 4.4 25.3 0.8 CB A:ASP64 4.4 19.2 1.0 O A:HOH432 4.4 17.4 1.0 NAJ A:OZ1301 4.5 16.8 1.0 CE A:LYS148 4.6 26.1 1.0 CB A:GLU152 4.7 18.6 1.0 NAS A:OZ1301 4.7 22.0 1.0 O A:CYS65 4.7 35.6 1.0 C2 F:DA21 4.8 26.1 0.8 CA A:GLU152 4.8 15.7 1.0 O3' F:DC20 4.8 28.1 1.0 CG A:ASN155 4.8 22.1 1.0 OP1 F:DA21 4.9 27.3 0.2 C4' F:DA21 4.9 25.4 0.2 CAK A:OZ1301 4.9 21.5 1.0 C2' F:DC20 4.9 18.2 1.0 O5' F:DA21 4.9 27.5 0.2 OD2 A:ASP116 4.9 30.7 1.0

Magnesium binding site 3 out of 4 in the Structure of E138K/G140A/Q148K Hiv-1 Intasome with 4D Bound


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of E138K/G140A/Q148K Hiv-1 Intasome with 4D Bound within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg302 b:36.5 occ:1.00 OAX G:OZ1301 1.9 27.1 1.0 O G:HOH432 1.9 17.4 1.0 O G:HOH401 2.0 16.8 1.0 OD2 G:ASP116 2.1 30.7 1.0 OD1 G:ASP64 2.1 21.1 1.0 NAS G:OZ1301 2.3 22.0 1.0 NAU G:OZ1301 2.8 21.8 1.0 CAT G:OZ1301 2.9 25.5 1.0 CG G:ASP64 3.0 18.3 1.0 OD2 G:ASP64 3.2 24.2 1.0 CG G:ASP116 3.2 24.6 1.0 CAR G:OZ1301 3.4 20.8 1.0 MG G:MG303 3.6 17.7 1.0 OD1 G:ASP116 3.8 30.9 1.0 CAV G:OZ1301 4.0 21.0 1.0 O G:HOH413 4.1 30.0 1.0 O G:HOH412 4.2 23.1 1.0 O G:CYS65 4.2 35.6 1.0 CAO G:OZ1301 4.3 21.9 1.0 NZ G:LYS148 4.3 23.3 1.0 OE2 G:GLU152 4.3 25.3 1.0 N1 L:DA21 4.4 29.0 0.8 CE G:LYS148 4.4 26.1 1.0 CB G:ASP64 4.4 19.2 1.0 OAW G:OZ1301 4.4 29.8 1.0 CB G:ASP116 4.5 20.2 1.0 N G:CYS65 4.5 26.5 1.0 CAQ G:OZ1301 4.6 28.4 1.0 C2 L:DA21 4.6 26.1 0.8 CA G:ASP64 4.8 15.9 1.0 CAP G:OZ1301 5.0 21.2 1.0

Magnesium binding site 4 out of 4 in the Structure of E138K/G140A/Q148K Hiv-1 Intasome with 4D Bound


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of E138K/G140A/Q148K Hiv-1 Intasome with 4D Bound within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg303 b:17.7 occ:1.00 OE2 G:GLU152 2.0 25.3 1.0 OAX G:OZ1301 2.1 27.1 1.0 OE1 G:GLU152 2.1 21.6 1.0 OD2 G:ASP64 2.1 24.2 1.0 OAW G:OZ1301 2.1 29.8 1.0 O G:HOH412 2.1 23.1 1.0 CD G:GLU152 2.3 22.1 1.0 NAU G:OZ1301 2.8 21.8 1.0 CAV G:OZ1301 2.9 21.0 1.0 CG G:ASP64 3.2 18.3 1.0 ND2 G:ASN155 3.5 17.4 1.0 MG G:MG302 3.6 36.5 1.0 OD1 G:ASP64 3.7 21.1 1.0 CG G:GLU152 3.9 23.7 1.0 C5' L:DA21 4.1 26.2 0.2 CAT G:OZ1301 4.1 25.5 1.0 FAH G:OZ1301 4.2 33.5 1.0 CAM G:OZ1301 4.2 19.6 1.0 NZ G:LYS148 4.2 23.3 1.0 OP1 L:DA21 4.4 25.3 0.8 CB G:ASP64 4.4 19.2 1.0 O G:HOH432 4.4 17.4 1.0 NAJ G:OZ1301 4.5 16.8 1.0 CE G:LYS148 4.6 26.1 1.0 CB G:GLU152 4.7 18.6 1.0 NAS G:OZ1301 4.7 22.0 1.0 O G:CYS65 4.7 35.6 1.0 C2 L:DA21 4.8 26.1 0.8 CA G:GLU152 4.8 15.7 1.0 O3' L:DC20 4.8 28.1 1.0 CG G:ASN155 4.8 22.1 1.0 OP1 L:DA21 4.9 27.3 0.2 C4' L:DA21 4.9 25.4 0.2 CAK G:OZ1301 4.9 21.5 1.0 C2' L:DC20 4.9 18.2 1.0 O5' L:DA21 4.9 27.5 0.2 OD2 G:ASP116 4.9 30.7 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