Magnesium in PDB 8fnp: Structure of E138K/G140S/Q148H Hiv-1 Intasome with Dolutegravir Bound

The structure of Structure of E138K/G140S/Q148H 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 E138K/G140S/Q148H Hiv-1 Intasome with Dolutegravir Bound (pdb code 8fnp). 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/G140S/Q148H Hiv-1 Intasome with Dolutegravir Bound, PDB code: 8fnp:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Structure of E138K/G140S/Q148H 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 E138K/G140S/Q148H Hiv-1 Intasome with Dolutegravir Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:5.1 occ:1.00 O F:HOH219 2.0 6.1 1.0 OAE F:DLU101 2.0 18.8 1.0 O A:HOH435 2.1 4.4 1.0 OD2 A:ASP116 2.1 5.2 1.0 OAC F:DLU101 2.2 19.1 1.0 OD1 A:ASP64 2.2 0.5 1.0 CAS F:DLU101 3.1 14.1 1.0 CG A:ASP116 3.2 9.8 1.0 CAW F:DLU101 3.2 11.2 1.0 CG A:ASP64 3.2 0.0 1.0 OD2 A:ASP64 3.6 11.8 1.0 MG A:MG302 3.6 11.8 1.0 CAY F:DLU101 3.6 17.7 1.0 O A:HOH417 3.6 11.4 1.0 OD1 A:ASP116 3.7 4.4 1.0 N1 F:DA21 3.7 50.7 0.4 C2 F:DA21 4.0 49.0 0.4 O A:HOH465 4.1 15.5 1.0 N A:CYS65 4.2 3.0 1.0 O A:CYS65 4.2 19.0 1.0 NBC F:DLU101 4.2 23.3 1.0 O F:HOH220 4.3 22.1 1.0 OE2 A:GLU152 4.4 8.6 1.0 CB A:ASP116 4.4 1.2 1.0 O A:HOH401 4.4 25.9 1.0 CAZ F:DLU101 4.5 19.0 1.0 O F:HOH201 4.5 6.3 1.0 CB A:ASP64 4.5 0.0 1.0 C6 F:DA21 4.6 50.0 0.4 CBA F:DLU101 4.6 18.7 1.0 CA A:ASP64 4.8 3.0 1.0 OAD F:DLU101 4.8 16.7 1.0 N6 F:DA21 4.9 49.4 0.4 C A:CYS65 4.9 3.7 1.0 CA A:CYS65 5.0 11.3 1.0 NBD F:DLU101 5.0 20.4 1.0

Magnesium binding site 2 out of 4 in the Structure of E138K/G140S/Q148H 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 E138K/G140S/Q148H Hiv-1 Intasome with Dolutegravir Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:11.8 occ:1.00 OD2 A:ASP64 2.0 11.8 1.0 OE1 A:GLU152 2.1 10.9 1.0 OAE F:DLU101 2.2 18.8 1.0 OE2 A:GLU152 2.3 8.6 1.0 O F:HOH201 2.4 6.3 1.0 OAD F:DLU101 2.4 16.7 1.0 CD A:GLU152 2.5 10.1 1.0 CG A:ASP64 3.0 0.0 1.0 CAW F:DLU101 3.0 11.2 1.0 CAZ F:DLU101 3.1 19.0 1.0 OD1 A:ASP64 3.3 0.5 1.0 MG A:MG301 3.6 5.1 1.0 ND2 A:ASN155 3.6 10.2 1.0 O A:CYS65 3.9 19.0 1.0 CG A:GLU152 4.0 5.9 1.0 O A:HOH465 4.1 15.5 1.0 C5' F:DA21 4.2 50.4 0.6 O F:HOH219 4.3 6.1 1.0 CB A:ASP64 4.3 0.0 1.0 C2 F:DA21 4.3 49.0 0.4 CAX F:DLU101 4.5 12.4 1.0 OP1 F:DA21 4.5 46.7 0.4 CAY F:DLU101 4.5 17.7 1.0 OP1 F:DA21 4.6 46.8 0.6 N3 F:DA21 4.7 48.9 0.4 OD2 A:ASP116 4.7 5.2 1.0 CB A:GLU152 4.8 0.5 1.0 CG A:ASN155 4.9 11.3 1.0 C5' F:DA21 4.9 51.2 0.4 CA A:GLU152 4.9 5.7 1.0 O3' F:DC20 4.9 26.3 1.0 OAC F:DLU101 5.0 19.1 1.0 FAG F:DLU101 5.0 20.6 1.0

Magnesium binding site 3 out of 4 in the Structure of E138K/G140S/Q148H 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 E138K/G140S/Q148H Hiv-1 Intasome with Dolutegravir Bound within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg301 b:5.1 occ:1.00 O L:HOH219 2.0 6.1 1.0 OAE L:DLU101 2.0 18.8 1.0 O G:HOH435 2.1 4.4 1.0 OD2 G:ASP116 2.1 5.2 1.0 OAC L:DLU101 2.2 19.1 1.0 OD1 G:ASP64 2.2 0.5 1.0 CAS L:DLU101 3.1 14.1 1.0 CG G:ASP116 3.2 9.8 1.0 CAW L:DLU101 3.2 11.2 1.0 CG G:ASP64 3.2 0.0 1.0 OD2 G:ASP64 3.6 11.8 1.0 MG G:MG302 3.6 11.8 1.0 CAY L:DLU101 3.6 17.7 1.0 O G:HOH417 3.6 11.4 1.0 OD1 G:ASP116 3.7 4.4 1.0 N1 L:DA21 3.7 50.7 0.4 C2 L:DA21 4.0 49.0 0.4 O G:HOH465 4.1 15.5 1.0 N G:CYS65 4.2 3.0 1.0 O G:CYS65 4.2 19.0 1.0 NBC L:DLU101 4.2 23.3 1.0 O L:HOH220 4.3 22.1 1.0 OE2 G:GLU152 4.4 8.6 1.0 CB G:ASP116 4.4 1.2 1.0 O G:HOH401 4.4 25.9 1.0 CAZ L:DLU101 4.5 19.0 1.0 O L:HOH201 4.5 6.3 1.0 CB G:ASP64 4.5 0.0 1.0 C6 L:DA21 4.6 50.0 0.4 CBA L:DLU101 4.6 18.7 1.0 CA G:ASP64 4.8 3.0 1.0 OAD L:DLU101 4.8 16.7 1.0 N6 L:DA21 4.9 49.4 0.4 C G:CYS65 4.9 3.7 1.0 CA G:CYS65 5.0 11.3 1.0 NBD L:DLU101 5.0 20.4 1.0

Magnesium binding site 4 out of 4 in the Structure of E138K/G140S/Q148H 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 E138K/G140S/Q148H Hiv-1 Intasome with Dolutegravir Bound within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg302 b:11.8 occ:1.00 OD2 G:ASP64 2.0 11.8 1.0 OE1 G:GLU152 2.1 10.9 1.0 OAE L:DLU101 2.2 18.8 1.0 OE2 G:GLU152 2.3 8.6 1.0 O L:HOH201 2.4 6.3 1.0 OAD L:DLU101 2.4 16.7 1.0 CD G:GLU152 2.5 10.1 1.0 CG G:ASP64 3.0 0.0 1.0 CAW L:DLU101 3.0 11.2 1.0 CAZ L:DLU101 3.1 19.0 1.0 OD1 G:ASP64 3.3 0.5 1.0 MG G:MG301 3.6 5.1 1.0 ND2 G:ASN155 3.6 10.2 1.0 O G:CYS65 3.9 19.0 1.0 CG G:GLU152 4.0 5.9 1.0 O G:HOH465 4.1 15.5 1.0 C5' L:DA21 4.2 50.4 0.6 O L:HOH219 4.3 6.1 1.0 CB G:ASP64 4.3 0.0 1.0 C2 L:DA21 4.3 49.0 0.4 CAX L:DLU101 4.5 12.4 1.0 OP1 L:DA21 4.5 46.7 0.4 CAY L:DLU101 4.5 17.7 1.0 OP1 L:DA21 4.6 46.8 0.6 N3 L:DA21 4.7 48.9 0.4 OD2 G:ASP116 4.7 5.2 1.0 CB G:GLU152 4.8 0.5 1.0 CG G:ASN155 4.9 11.3 1.0 C5' L:DA21 4.9 51.2 0.4 CA G:GLU152 4.9 5.7 1.0 O3' L:DC20 4.9 26.3 1.0 OAC L:DLU101 5.0 19.1 1.0 FAG L:DLU101 5.0 20.6 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