Magnesium in PDB 6rwo: Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir

The structure of Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir also contains other interesting chemical elements:

Fluorine	(F)	6 atoms
Zinc	(Zn)	8 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Magnesium atom in the Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir (pdb code 6rwo). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir, PDB code: 6rwo:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:26.2 occ:1.00 O A:HOH401 2.0 24.4 1.0 O A:HOH402 2.0 24.1 1.0 OAB A:KLQ303 2.0 26.6 1.0 OAD A:KLQ303 2.1 26.6 1.0 OD2 A:ASP116 2.1 23.4 1.0 OD1 A:ASP64 2.1 22.5 1.0 CAS A:KLQ303 3.1 26.6 1.0 CG A:ASP64 3.1 22.5 1.0 CG A:ASP116 3.2 23.4 1.0 CAW A:KLQ303 3.2 26.6 1.0 OD2 A:ASP64 3.4 22.5 1.0 MG A:MG305 3.6 21.1 1.0 CAZ A:KLQ303 3.6 26.6 1.0 OD1 A:ASP116 3.7 23.4 1.0 NBE A:KLQ303 4.2 26.6 1.0 O A:HOH403 4.4 22.7 1.0 O A:CYS65 4.4 31.0 1.0 CB A:ASP116 4.4 23.4 1.0 CBC A:KLQ303 4.5 26.6 1.0 CBA A:KLQ303 4.5 26.6 1.0 N A:CYS65 4.5 31.0 1.0 CB A:ASP64 4.5 22.5 1.0 OE2 A:GLU152 4.7 22.7 1.0 OAC A:KLQ303 4.7 26.6 1.0 CA A:ASP64 4.8 22.5 1.0 N7 T:DA21 4.9 30.9 1.0 NBF A:KLQ303 5.0 26.6 1.0

Magnesium binding site 2 out of 4 in the Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg305 b:21.1 occ:1.00 OAC A:KLQ303 2.0 26.6 1.0 O A:HOH403 2.0 22.7 1.0 OE1 A:GLU152 2.0 22.7 1.0 OD2 A:ASP64 2.1 22.5 1.0 OE2 A:GLU152 2.1 22.7 1.0 OAD A:KLQ303 2.1 26.6 1.0 CD A:GLU152 2.3 22.7 1.0 CBA A:KLQ303 2.7 26.6 1.0 CAW A:KLQ303 2.8 26.6 1.0 CG A:ASP64 3.1 22.5 1.0 OD1 A:ASP64 3.5 22.5 1.0 MG A:MG304 3.6 26.2 1.0 CG A:GLU152 3.9 22.7 1.0 O A:HOH401 4.1 24.4 1.0 CAZ A:KLQ303 4.1 26.6 1.0 CAX A:KLQ303 4.1 26.6 1.0 ND2 A:ASN155 4.4 21.7 1.0 CB A:ASP64 4.4 22.5 1.0 OAB A:KLQ303 4.6 26.6 1.0 NAP A:KLQ303 4.7 26.6 1.0 O A:CYS65 4.7 31.0 1.0 FAG A:KLQ303 4.7 26.6 1.0 CB A:GLU152 4.7 22.7 1.0 NE2 A:HIS148 4.8 21.9 1.0 OD2 A:ASP116 4.8 23.4 1.0 CAS A:KLQ303 4.9 26.6 1.0 CAR A:KLQ303 4.9 26.6 1.0

Magnesium binding site 3 out of 4 in the Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir within 5.0Å range: probe atom residue distance (Å) B Occ I:Mg304 b:26.2 occ:1.00 O I:HOH401 2.0 23.8 1.0 O I:HOH402 2.0 24.0 1.0 OAB I:KLQ303 2.0 25.3 1.0 OAD I:KLQ303 2.1 25.3 1.0 OD2 I:ASP116 2.1 23.8 1.0 OD1 I:ASP64 2.1 22.6 1.0 CAS I:KLQ303 3.1 25.3 1.0 CG I:ASP64 3.1 22.6 1.0 CG I:ASP116 3.2 23.8 1.0 CAW I:KLQ303 3.2 25.3 1.0 OD2 I:ASP64 3.4 22.6 1.0 MG I:MG305 3.6 20.9 1.0 CAZ I:KLQ303 3.6 25.3 1.0 OD1 I:ASP116 3.7 23.8 1.0 NBE I:KLQ303 4.2 25.3 1.0 O I:HOH403 4.2 22.4 1.0 O I:CYS65 4.4 30.4 1.0 CB I:ASP116 4.4 23.8 1.0 CBA I:KLQ303 4.5 25.3 1.0 N I:CYS65 4.5 30.4 1.0 CBC I:KLQ303 4.5 25.3 1.0 CB I:ASP64 4.5 22.6 1.0 OAC I:KLQ303 4.7 25.3 1.0 OE2 I:GLU152 4.7 21.6 1.0 N7 W:DA21 4.8 30.7 1.0 CA I:ASP64 4.8 22.6 1.0 NBF I:KLQ303 5.0 25.3 1.0

Magnesium binding site 4 out of 4 in the Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir within 5.0Å range: probe atom residue distance (Å) B Occ I:Mg305 b:20.9 occ:1.00 OAC I:KLQ303 2.0 25.3 1.0 O I:HOH403 2.0 22.4 1.0 OE2 I:GLU152 2.0 21.6 1.0 OD2 I:ASP64 2.1 22.6 1.0 OE1 I:GLU152 2.1 21.6 1.0 OAD I:KLQ303 2.1 25.3 1.0 CD I:GLU152 2.4 21.6 1.0 CBA I:KLQ303 2.7 25.3 1.0 CAW I:KLQ303 2.8 25.3 1.0 CG I:ASP64 3.1 22.6 1.0 OD1 I:ASP64 3.5 22.6 1.0 MG I:MG304 3.6 26.2 1.0 CG I:GLU152 3.9 21.6 1.0 CAZ I:KLQ303 4.1 25.3 1.0 O I:HOH401 4.1 23.8 1.0 CAX I:KLQ303 4.2 25.3 1.0 CB I:ASP64 4.4 22.6 1.0 ND2 I:ASN155 4.4 21.8 1.0 OAB I:KLQ303 4.6 25.3 1.0 NAP I:KLQ303 4.7 25.3 1.0 FAG I:KLQ303 4.7 25.3 1.0 O I:CYS65 4.7 30.4 1.0 NE2 I:HIS148 4.7 21.4 1.0 OD2 I:ASP116 4.8 23.8 1.0 CB I:GLU152 4.8 21.6 1.0 CAS I:KLQ303 4.9 25.3 1.0 CAR I:KLQ303 4.9 25.3 1.0

P.Cherepanov, N.Nans, N.J.Cook. Structural Basis of Second-Generation Hiv Integrase Inhibitor Action and Viral Resistance Science 2020.
ISSN: ESSN 1095-9203
DOI: 10.1126/SCIENCE.AAY4919