Magnesium in PDB 7oug: Stlv-1 Intasome:B56 in Complex with the Strand-Transfer Inhibitor Raltegravir

The structure of Stlv-1 Intasome:B56 in Complex with the Strand-Transfer Inhibitor Raltegravir also contains other interesting chemical elements:

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

The binding sites of Magnesium atom in the Stlv-1 Intasome:B56 in Complex with the Strand-Transfer Inhibitor Raltegravir (pdb code 7oug). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Stlv-1 Intasome:B56 in Complex with the Strand-Transfer Inhibitor Raltegravir, PDB code: 7oug:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Stlv-1 Intasome:B56 in Complex with the Strand-Transfer Inhibitor Raltegravir


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Stlv-1 Intasome:B56 in Complex with the Strand-Transfer Inhibitor Raltegravir within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg302 b:9.9 occ:1.00 OAG E:RLT304 1.9 9.9 1.0 O E:HOH404 1.9 9.9 1.0 O E:HOH402 1.9 0.2 1.0 OAH E:RLT304 2.1 9.9 1.0 OD1 E:ASP65 2.1 11.0 1.0 OD2 E:ASP122 2.3 26.5 1.0 CBD E:RLT304 2.6 9.9 1.0 CAZ E:RLT304 2.7 9.9 1.0 CG E:ASP122 3.2 26.5 1.0 CG E:ASP65 3.2 11.0 1.0 OD1 E:ASP122 3.4 26.5 1.0 OD2 E:ASP65 3.6 11.0 1.0 MG E:MG303 3.8 36.9 1.0 NBE E:RLT304 4.0 9.9 1.0 CBB E:RLT304 4.2 9.9 1.0 O E:HOH403 4.4 9.9 1.0 OE2 E:GLU158 4.4 50.8 1.0 CAB E:RLT304 4.5 9.9 1.0 O E:ILE66 4.5 19.5 1.0 CB E:ASP65 4.5 11.0 1.0 N E:ILE66 4.5 19.5 1.0 N6 J:DA20 4.5 9.9 1.0 CB E:ASP122 4.6 26.5 1.0 OAE E:RLT304 4.8 9.9 1.0 N7 J:DA20 4.8 9.9 1.0 CA E:ASP65 4.8 11.0 1.0

Magnesium binding site 2 out of 4 in the Stlv-1 Intasome:B56 in Complex with the Strand-Transfer Inhibitor Raltegravir


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Stlv-1 Intasome:B56 in Complex with the Strand-Transfer Inhibitor Raltegravir within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg303 b:36.9 occ:1.00 OE2 E:GLU158 1.8 50.8 1.0 OAE E:RLT304 1.8 9.9 1.0 OE1 E:GLU158 1.8 50.8 1.0 O E:HOH403 2.0 9.9 1.0 CD E:GLU158 2.0 50.8 1.0 OAH E:RLT304 2.0 9.9 1.0 OD2 E:ASP65 2.2 11.0 1.0 CAU E:RLT304 2.8 9.9 1.0 CAZ E:RLT304 3.0 9.9 1.0 CG E:ASP65 3.2 11.0 1.0 CBB E:RLT304 3.3 9.9 1.0 CG E:GLU158 3.5 50.8 1.0 OD1 E:ASP65 3.6 11.0 1.0 MG E:MG302 3.8 9.9 1.0 O E:HOH402 3.9 0.2 1.0 NAR E:RLT304 4.0 9.9 1.0 CBD E:RLT304 4.4 9.9 1.0 CB E:GLU158 4.4 50.8 1.0 CAN E:RLT304 4.4 9.9 1.0 CB E:ASP65 4.5 11.0 1.0 OD1 E:ASN161 4.6 21.4 1.0 CAM E:RLT304 4.7 9.9 1.0 OD2 E:ASP122 4.7 26.5 1.0 NAQ E:RLT304 4.7 9.9 1.0 OAG E:RLT304 4.8 9.9 1.0 N7 J:DA20 4.8 9.9 1.0 CA E:GLU158 4.9 50.8 1.0 OG E:SER154 4.9 40.4 1.0 O E:ILE66 4.9 19.5 1.0

Magnesium binding site 3 out of 4 in the Stlv-1 Intasome:B56 in Complex with the Strand-Transfer Inhibitor Raltegravir


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Stlv-1 Intasome:B56 in Complex with the Strand-Transfer Inhibitor Raltegravir within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg302 b:9.9 occ:1.00 OAG B:RLT304 1.9 9.9 1.0 O B:HOH403 1.9 9.9 1.0 O B:HOH404 2.0 0.2 1.0 OAH B:RLT304 2.1 9.9 1.0 OD1 B:ASP65 2.1 7.2 1.0 OD2 B:ASP122 2.3 27.9 1.0 CBD B:RLT304 2.6 9.9 1.0 CAZ B:RLT304 2.7 9.9 1.0 CG B:ASP122 3.2 27.9 1.0 CG B:ASP65 3.2 7.2 1.0 OD1 B:ASP122 3.4 27.9 1.0 OD2 B:ASP65 3.6 7.2 1.0 MG B:MG303 3.8 35.6 1.0 NBE B:RLT304 4.0 9.9 1.0 CBB B:RLT304 4.2 9.9 1.0 O B:HOH402 4.3 9.9 1.0 OE2 B:GLU158 4.4 9.9 1.0 CAB B:RLT304 4.5 9.9 1.0 O B:ILE66 4.5 19.6 1.0 N B:ILE66 4.5 19.6 1.0 CB B:ASP65 4.5 7.2 1.0 N6 L:DA20 4.5 9.9 1.0 CB B:ASP122 4.6 27.9 1.0 OAE B:RLT304 4.8 9.9 1.0 N7 L:DA20 4.8 9.9 1.0 CA B:ASP65 4.8 7.2 1.0

Magnesium binding site 4 out of 4 in the Stlv-1 Intasome:B56 in Complex with the Strand-Transfer Inhibitor Raltegravir


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Stlv-1 Intasome:B56 in Complex with the Strand-Transfer Inhibitor Raltegravir within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg303 b:35.6 occ:1.00 OAE B:RLT304 1.8 9.9 1.0 OE2 B:GLU158 1.8 9.9 1.0 OE1 B:GLU158 1.8 9.9 1.0 O B:HOH402 2.0 9.9 1.0 CD B:GLU158 2.0 9.9 1.0 OAH B:RLT304 2.0 9.9 1.0 OD2 B:ASP65 2.2 7.2 1.0 CAU B:RLT304 2.8 9.9 1.0 CAZ B:RLT304 3.0 9.9 1.0 CG B:ASP65 3.2 7.2 1.0 CBB B:RLT304 3.3 9.9 1.0 CG B:GLU158 3.5 9.9 1.0 OD1 B:ASP65 3.6 7.2 1.0 MG B:MG302 3.8 9.9 1.0 NAR B:RLT304 4.0 9.9 1.0 O B:HOH404 4.0 0.2 1.0 CBD B:RLT304 4.4 9.9 1.0 CAN B:RLT304 4.4 9.9 1.0 CB B:GLU158 4.4 9.9 1.0 CB B:ASP65 4.5 7.2 1.0 OD1 B:ASN161 4.6 12.6 1.0 OD2 B:ASP122 4.7 27.9 1.0 NAQ B:RLT304 4.7 9.9 1.0 CAM B:RLT304 4.7 9.9 1.0 OAG B:RLT304 4.8 9.9 1.0 N7 L:DA20 4.8 9.9 1.0 CA B:GLU158 4.9 9.9 1.0 OG B:SER154 4.9 22.7 1.0 O B:ILE66 4.9 19.6 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