Magnesium in PDB 8fnh: Structure of Q148K Hiv-1 Intasome with Dolutegravir Bound

The structure of Structure of Q148K Hiv-1 Intasome with Dolutegravir Bound also contains other interesting chemical elements:

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

The binding sites of Magnesium atom in the Structure of Q148K Hiv-1 Intasome with Dolutegravir Bound (pdb code 8fnh). 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 Q148K Hiv-1 Intasome with Dolutegravir Bound, PDB code: 8fnh:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Structure of Q148K Hiv-1 Intasome with Dolutegravir 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 Q148K Hiv-1 Intasome with Dolutegravir Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:44.9 occ:1.00 OAE A:DLU304 1.4 50.6 1.0 O A:HOH410 1.9 45.2 1.0 O A:HOH416 2.0 38.1 1.0 OD2 A:ASP116 2.0 56.0 1.0 OD1 A:ASP64 2.1 40.6 1.0 OAC A:DLU304 2.3 50.4 1.0 CAW A:DLU304 2.8 34.8 1.0 CG A:ASP64 3.1 41.3 1.0 CAS A:DLU304 3.1 42.7 1.0 CG A:ASP116 3.2 48.1 1.0 OD2 A:ASP64 3.3 43.0 1.0 MG A:MG302 3.5 44.1 1.0 CAY A:DLU304 3.5 43.8 1.0 O A:HOH413 3.5 37.7 1.0 OD1 A:ASP116 3.7 53.4 1.0 CAZ A:DLU304 3.9 43.6 1.0 OAD A:DLU304 4.0 51.4 1.0 O A:HOH412 4.0 45.6 1.0 N1 F:DA21 4.2 51.5 0.6 OE2 A:GLU152 4.3 48.4 1.0 NBC A:DLU304 4.3 46.8 1.0 O A:CYS65 4.4 57.1 1.0 CB A:ASP116 4.4 31.9 1.0 C2 F:DA21 4.4 48.3 0.6 CB A:ASP64 4.4 39.6 1.0 N A:CYS65 4.5 48.1 1.0 CBA A:DLU304 4.8 48.6 1.0 CA A:ASP64 4.8 38.4 1.0 NBD A:DLU304 4.8 45.6 1.0 C6 F:DA21 5.0 51.9 0.6

Magnesium binding site 2 out of 4 in the Structure of Q148K Hiv-1 Intasome with Dolutegravir 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 Q148K Hiv-1 Intasome with Dolutegravir Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:44.1 occ:1.00 OAD A:DLU304 1.9 51.4 1.0 OD2 A:ASP64 2.1 43.0 1.0 OE1 A:GLU152 2.1 43.4 1.0 OE2 A:GLU152 2.1 48.4 1.0 O A:HOH412 2.1 45.6 1.0 CD A:GLU152 2.4 47.1 1.0 OAE A:DLU304 2.6 50.6 1.0 CAZ A:DLU304 2.8 43.6 1.0 CG A:ASP64 3.1 41.3 1.0 CAW A:DLU304 3.1 34.8 1.0 MG A:MG301 3.5 44.9 1.0 OD1 A:ASP64 3.5 40.6 1.0 O A:HOH413 3.5 37.7 1.0 ND2 A:ASN155 3.8 44.6 1.0 CG A:GLU152 3.9 34.8 1.0 CAX A:DLU304 4.1 35.6 1.0 O A:HOH410 4.3 45.2 1.0 C5' F:DA21 4.3 51.2 0.4 CB A:ASP64 4.4 39.6 1.0 FAG A:DLU304 4.4 59.4 1.0 OP1 F:DA21 4.5 51.2 0.6 NAP A:DLU304 4.5 41.3 1.0 C2 F:DA21 4.6 48.3 0.6 CAY A:DLU304 4.6 43.8 1.0 O A:CYS65 4.7 57.1 1.0 CB A:GLU152 4.7 39.2 1.0 CAR A:DLU304 4.8 40.4 1.0 OD2 A:ASP116 4.8 56.0 1.0 OP1 F:DA21 4.9 51.4 0.4 N3 F:DA21 4.9 45.9 0.6 CA A:GLU152 4.9 41.8 1.0

Magnesium binding site 3 out of 4 in the Structure of Q148K Hiv-1 Intasome with Dolutegravir 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 Q148K Hiv-1 Intasome with Dolutegravir Bound within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg301 b:44.9 occ:1.00 OAE G:DLU304 1.5 50.6 1.0 O G:HOH411 1.9 45.2 1.0 O G:HOH416 2.0 38.1 1.0 OD2 G:ASP116 2.0 56.0 1.0 OD1 G:ASP64 2.1 40.6 1.0 OAC G:DLU304 2.3 50.4 1.0 CAW G:DLU304 2.8 34.8 1.0 CG G:ASP64 3.1 41.3 1.0 CAS G:DLU304 3.1 42.7 1.0 CG G:ASP116 3.2 48.1 1.0 OD2 G:ASP64 3.3 43.0 1.0 MG G:MG302 3.5 44.1 1.0 CAY G:DLU304 3.5 43.8 1.0 O G:HOH413 3.5 37.7 1.0 OD1 G:ASP116 3.7 53.4 1.0 CAZ G:DLU304 3.9 43.6 1.0 OAD G:DLU304 4.0 51.4 1.0 O G:HOH412 4.0 45.6 1.0 N1 L:DA21 4.2 51.5 0.6 OE2 G:GLU152 4.3 48.4 1.0 NBC G:DLU304 4.3 46.8 1.0 O G:CYS65 4.4 57.1 1.0 CB G:ASP116 4.4 31.9 1.0 C2 L:DA21 4.4 48.3 0.6 CB G:ASP64 4.4 39.6 1.0 N G:CYS65 4.5 48.1 1.0 CBA G:DLU304 4.8 48.6 1.0 CA G:ASP64 4.8 38.4 1.0 NBD G:DLU304 4.8 45.6 1.0 C6 L:DA21 5.0 51.9 0.6

Magnesium binding site 4 out of 4 in the Structure of Q148K Hiv-1 Intasome with Dolutegravir 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 Q148K Hiv-1 Intasome with Dolutegravir Bound within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg302 b:44.1 occ:1.00 OAD G:DLU304 1.9 51.4 1.0 OD2 G:ASP64 2.1 43.0 1.0 OE1 G:GLU152 2.1 43.4 1.0 OE2 G:GLU152 2.1 48.4 1.0 O G:HOH412 2.1 45.6 1.0 CD G:GLU152 2.4 47.1 1.0 OAE G:DLU304 2.6 50.6 1.0 CAZ G:DLU304 2.8 43.6 1.0 CG G:ASP64 3.1 41.3 1.0 CAW G:DLU304 3.1 34.8 1.0 MG G:MG301 3.5 44.9 1.0 OD1 G:ASP64 3.5 40.6 1.0 O G:HOH413 3.5 37.7 1.0 ND2 G:ASN155 3.8 44.6 1.0 CG G:GLU152 3.9 34.8 1.0 CAX G:DLU304 4.1 35.6 1.0 O G:HOH411 4.3 45.2 1.0 C5' L:DA21 4.3 51.2 0.4 CB G:ASP64 4.4 39.6 1.0 FAG G:DLU304 4.4 59.4 1.0 OP1 L:DA21 4.5 51.2 0.6 NAP G:DLU304 4.5 41.3 1.0 C2 L:DA21 4.6 48.3 0.6 CAY G:DLU304 4.6 43.8 1.0 O G:CYS65 4.7 57.1 1.0 CB G:GLU152 4.7 39.2 1.0 CAR G:DLU304 4.8 40.4 1.0 OD2 G:ASP116 4.8 56.0 1.0 OP1 L:DA21 4.9 51.4 0.4 N3 L:DA21 4.9 45.9 0.6 CA G:GLU152 4.9 41.8 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