Magnesium in PDB 7ouh: Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor Bictegravir

The structure of Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor Bictegravir also contains other interesting chemical elements:

Zinc	(Zn)	4 atoms
Fluorine	(F)	6 atoms

The binding sites of Magnesium atom in the Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor Bictegravir (pdb code 7ouh). 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 the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor Bictegravir, PDB code: 7ouh:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor Bictegravir


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor Bictegravir within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg302 b:22.0 occ:1.00 OAB E:KLQ304 1.7 19.4 1.0 OAD E:KLQ304 2.0 19.4 1.0 OD1 E:ASP65 2.1 8.7 1.0 O E:HOH402 2.1 21.2 1.0 O E:HOH401 2.1 21.1 1.0 OD2 E:ASP122 2.2 20.7 1.0 CAS E:KLQ304 2.7 19.4 1.0 CAW E:KLQ304 3.0 19.4 1.0 CG E:ASP65 3.1 8.7 1.0 CG E:ASP122 3.2 20.7 1.0 CAZ E:KLQ304 3.3 19.4 1.0 OD2 E:ASP65 3.4 8.7 1.0 OD1 E:ASP122 3.7 20.7 1.0 MG E:MG303 3.7 20.7 1.0 NBE E:KLQ304 4.0 19.4 1.0 O J:HOH101 4.2 22.3 1.0 CBA E:KLQ304 4.4 19.4 1.0 OE2 E:GLU158 4.4 18.9 1.0 CB E:ASP65 4.4 8.7 1.0 N E:ILE66 4.5 21.1 1.0 O E:ILE66 4.5 21.1 1.0 CBC E:KLQ304 4.5 19.4 1.0 CB E:ASP122 4.5 20.7 1.0 N6 J:DA20 4.6 21.2 1.0 NBF E:KLQ304 4.7 19.4 1.0 CA E:ASP65 4.8 8.7 1.0 OAC E:KLQ304 4.8 19.4 1.0

Magnesium binding site 2 out of 4 in the Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor Bictegravir


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor Bictegravir within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg303 b:20.7 occ:1.00 OE2 E:GLU158 1.8 18.9 1.0 OE1 E:GLU158 1.9 18.9 1.0 OAC E:KLQ304 1.9 19.4 1.0 CD E:GLU158 2.0 18.9 1.0 OAD E:KLQ304 2.1 19.4 1.0 O J:HOH101 2.1 22.3 1.0 OD2 E:ASP65 2.2 8.7 1.0 CBA E:KLQ304 2.5 19.4 1.0 CAW E:KLQ304 2.6 19.4 1.0 CG E:ASP65 3.1 8.7 1.0 CG E:GLU158 3.5 18.9 1.0 OD1 E:ASP65 3.5 8.7 1.0 O E:HOH402 3.6 21.2 1.0 MG E:MG302 3.7 22.0 1.0 CAZ E:KLQ304 3.9 19.4 1.0 CAX E:KLQ304 3.9 19.4 1.0 CB E:ASP65 4.4 8.7 1.0 CB E:GLU158 4.5 18.9 1.0 NAP E:KLQ304 4.5 19.4 1.0 OP1 J:DA20 4.5 21.2 1.0 OAB E:KLQ304 4.6 19.4 1.0 N7 J:DA20 4.7 21.2 1.0 CAR E:KLQ304 4.7 19.4 1.0 ND2 E:ASN161 4.7 18.4 1.0 OD2 E:ASP122 4.8 20.7 1.0 CAS E:KLQ304 4.8 19.4 1.0 FAG E:KLQ304 4.8 19.4 1.0 OG E:SER154 4.8 28.6 1.0 CAJ E:KLQ304 4.9 19.4 1.0 NBF E:KLQ304 4.9 19.4 1.0 CA E:GLU158 5.0 18.9 1.0 C8 J:DA20 5.0 21.2 1.0

Magnesium binding site 3 out of 4 in the Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor Bictegravir


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor Bictegravir within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg302 b:22.6 occ:1.00 OAB B:KLQ304 1.7 20.5 1.0 OAD B:KLQ304 2.0 20.5 1.0 OD1 B:ASP65 2.1 8.5 1.0 O B:HOH402 2.1 22.4 1.0 O B:HOH401 2.1 19.9 1.0 OD2 B:ASP122 2.2 16.5 1.0 CAS B:KLQ304 2.7 20.5 1.0 CAW B:KLQ304 3.0 20.5 1.0 CG B:ASP65 3.1 8.5 1.0 CG B:ASP122 3.2 16.5 1.0 CAZ B:KLQ304 3.3 20.5 1.0 OD2 B:ASP65 3.4 8.5 1.0 OD1 B:ASP122 3.7 16.5 1.0 MG B:MG303 3.7 19.6 1.0 NBE B:KLQ304 4.0 20.5 1.0 O L:HOH101 4.2 23.7 1.0 CBA B:KLQ304 4.4 20.5 1.0 OE2 B:GLU158 4.4 21.2 1.0 CB B:ASP65 4.4 8.5 1.0 N B:ILE66 4.5 18.5 1.0 O B:ILE66 4.5 18.5 1.0 CBC B:KLQ304 4.5 20.5 1.0 CB B:ASP122 4.5 16.5 1.0 N6 L:DA20 4.6 18.0 1.0 NBF B:KLQ304 4.7 20.5 1.0 CA B:ASP65 4.8 8.5 1.0 OAC B:KLQ304 4.8 20.5 1.0

Magnesium binding site 4 out of 4 in the Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor Bictegravir


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor Bictegravir within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg303 b:19.6 occ:1.00 OE2 B:GLU158 1.8 21.2 1.0 OE1 B:GLU158 1.9 21.2 1.0 OAC B:KLQ304 1.9 20.5 1.0 CD B:GLU158 2.0 21.2 1.0 OAD B:KLQ304 2.1 20.5 1.0 O L:HOH101 2.1 23.7 1.0 OD2 B:ASP65 2.2 8.5 1.0 CBA B:KLQ304 2.5 20.5 1.0 CAW B:KLQ304 2.6 20.5 1.0 CG B:ASP65 3.1 8.5 1.0 CG B:GLU158 3.5 21.2 1.0 OD1 B:ASP65 3.5 8.5 1.0 O B:HOH402 3.6 22.4 1.0 MG B:MG302 3.7 22.6 1.0 CAZ B:KLQ304 3.9 20.5 1.0 CAX B:KLQ304 3.9 20.5 1.0 CB B:ASP65 4.4 8.5 1.0 CB B:GLU158 4.5 21.2 1.0 NAP B:KLQ304 4.5 20.5 1.0 OP1 L:DA20 4.5 18.0 1.0 OAB B:KLQ304 4.6 20.5 1.0 N7 L:DA20 4.7 18.0 1.0 CAR B:KLQ304 4.7 20.5 1.0 OD2 B:ASP122 4.7 16.5 1.0 ND2 B:ASN161 4.8 14.0 1.0 CAS B:KLQ304 4.8 20.5 1.0 FAG B:KLQ304 4.8 20.5 1.0 OG B:SER154 4.8 28.6 1.0 CAJ B:KLQ304 4.9 20.5 1.0 NBF B:KLQ304 4.9 20.5 1.0 CA B:GLU158 5.0 21.2 1.0 C8 L:DA20 5.0 18.0 1.0

M.S.Barski, T.Vanzo, X.Zhao, S.J.Smith, A.Ballandras-Colas, N.B.Cronin, V.E.Pye, S.H.Hughes, T.R.Burke, P.Cherepanov, G.N.Maertens. Structural Basis For the Inhibition of Htlv-1 Integration Inferred From Cryo-Em Deltaretroviral Intasome Structures Nat Commun 2021.
ISSN: ESSN 2041-1723