Magnesium in PDB 7ouf: Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor XZ450

The structure of Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor XZ450 also contains other interesting chemical elements:

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

The binding sites of Magnesium atom in the Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor XZ450 (pdb code 7ouf). 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 XZ450, PDB code: 7ouf:
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 XZ450


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 XZ450 within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg302 b:20.0 occ:1.00 O11 E:1L0304 1.7 4.6 1.0 O E:HOH402 1.9 23.2 1.0 O E:HOH406 2.0 20.6 1.0 N06 E:1L0304 2.2 4.6 1.0 OD2 E:ASP122 2.2 10.1 1.0 OD1 E:ASP65 2.2 6.4 1.0 N10 E:1L0304 2.6 4.6 1.0 C05 E:1L0304 2.7 4.6 1.0 CG E:ASP122 3.2 10.1 1.0 CG E:ASP65 3.2 6.4 1.0 C01 E:1L0304 3.3 4.6 1.0 MG E:MG303 3.5 9.1 1.0 OD2 E:ASP65 3.6 6.4 1.0 OD1 E:ASP122 3.6 10.1 1.0 C09 E:1L0304 3.8 4.6 1.0 O E:HOH405 3.9 10.8 1.0 O E:HOH404 3.9 10.8 1.0 C04 E:1L0304 4.1 4.6 1.0 OE2 E:GLU158 4.3 10.8 1.0 O12 E:1L0304 4.4 4.6 1.0 O E:ILE66 4.4 9.8 1.0 O E:HOH403 4.5 10.8 1.0 CB E:ASP122 4.5 10.1 1.0 C02 E:1L0304 4.5 4.6 1.0 N6 J:DA20 4.6 3.0 1.0 CB E:ASP65 4.6 6.4 1.0 N E:ILE66 4.6 9.8 1.0 C03 E:1L0304 4.8 4.6 1.0 C08 E:1L0304 4.9 4.6 1.0 CA E:ASP65 4.9 6.4 1.0 N7 J:DA20 5.0 3.0 1.0

Magnesium binding site 2 out of 4 in the Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor XZ450


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 XZ450 within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg303 b:9.1 occ:1.00 OE2 E:GLU158 1.8 10.8 1.0 O12 E:1L0304 1.8 4.6 1.0 OE1 E:GLU158 1.8 10.8 1.0 CD E:GLU158 2.0 10.8 1.0 O E:HOH404 2.0 10.8 1.0 O11 E:1L0304 2.1 4.6 1.0 OD2 E:ASP65 2.1 6.4 1.0 C09 E:1L0304 2.6 4.6 1.0 N10 E:1L0304 2.7 4.6 1.0 CG E:ASP65 3.1 6.4 1.0 O E:HOH402 3.4 23.2 1.0 OD1 E:ASP65 3.5 6.4 1.0 CG E:GLU158 3.5 10.8 1.0 MG E:MG302 3.5 20.0 1.0 O E:HOH405 3.9 10.8 1.0 C08 E:1L0304 3.9 4.6 1.0 C05 E:1L0304 4.0 4.6 1.0 ND2 E:ASN161 4.4 7.2 1.0 N14 E:1L0304 4.4 4.6 1.0 CB E:ASP65 4.4 6.4 1.0 CB E:GLU158 4.4 10.8 1.0 OG E:SER154 4.5 3.4 1.0 OD2 E:ASP122 4.6 10.1 1.0 F32 E:1L0304 4.6 4.6 1.0 C13 E:1L0304 4.7 4.6 1.0 N06 E:1L0304 4.7 4.6 1.0 CA E:GLU158 4.8 10.8 1.0 C07 E:1L0304 5.0 4.6 1.0

Magnesium binding site 3 out of 4 in the Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor XZ450


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 XZ450 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg302 b:27.9 occ:1.00 O11 B:1L0304 1.7 10.8 1.0 O B:HOH402 1.9 22.9 1.0 O B:HOH406 2.0 22.3 1.0 N06 B:1L0304 2.2 10.8 1.0 OD2 B:ASP122 2.2 17.4 1.0 OD1 B:ASP65 2.2 10.8 1.0 N10 B:1L0304 2.5 10.8 1.0 C05 B:1L0304 2.7 10.8 1.0 CG B:ASP122 3.2 17.4 1.0 CG B:ASP65 3.2 10.8 1.0 C01 B:1L0304 3.3 10.8 1.0 MG B:MG303 3.5 36.0 1.0 OD2 B:ASP65 3.6 10.8 1.0 OD1 B:ASP122 3.6 17.4 1.0 O B:HOH405 3.8 10.8 1.0 C09 B:1L0304 3.8 10.8 1.0 O B:HOH404 3.9 10.8 1.0 C04 B:1L0304 4.1 10.8 1.0 OE2 B:GLU158 4.3 15.0 1.0 O12 B:1L0304 4.4 10.8 1.0 O B:ILE66 4.4 13.9 1.0 CB B:ASP122 4.4 17.4 1.0 C02 B:1L0304 4.5 10.8 1.0 N6 H:DA20 4.5 10.8 1.0 CB B:ASP65 4.6 10.8 1.0 O B:HOH403 4.6 10.8 1.0 N B:ILE66 4.6 13.9 1.0 C03 B:1L0304 4.8 10.8 1.0 N7 H:DA20 4.9 10.8 1.0 C08 B:1L0304 4.9 10.8 1.0 CA B:ASP65 4.9 10.8 1.0

Magnesium binding site 4 out of 4 in the Structure of the Stlv Intasome:B56 Complex Bound to the Strand- Transfer Inhibitor XZ450


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 XZ450 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg303 b:36.0 occ:1.00 OE2 B:GLU158 1.8 15.0 1.0 O12 B:1L0304 1.8 10.8 1.0 OE1 B:GLU158 1.9 15.0 1.0 O B:HOH404 2.0 10.8 1.0 CD B:GLU158 2.0 15.0 1.0 OD2 B:ASP65 2.1 10.8 1.0 O11 B:1L0304 2.1 10.8 1.0 C09 B:1L0304 2.6 10.8 1.0 N10 B:1L0304 2.7 10.8 1.0 CG B:ASP65 3.1 10.8 1.0 OD1 B:ASP65 3.5 10.8 1.0 O B:HOH402 3.5 22.9 1.0 CG B:GLU158 3.5 15.0 1.0 MG B:MG302 3.5 27.9 1.0 O B:HOH405 3.8 10.8 1.0 C08 B:1L0304 3.9 10.8 1.0 C05 B:1L0304 4.0 10.8 1.0 N14 B:1L0304 4.3 10.8 1.0 ND2 B:ASN161 4.4 6.0 1.0 CB B:ASP65 4.4 10.8 1.0 CB B:GLU158 4.4 15.0 1.0 OG B:SER154 4.5 10.8 1.0 F32 B:1L0304 4.5 10.8 1.0 OD2 B:ASP122 4.5 17.4 1.0 C13 B:1L0304 4.7 10.8 1.0 N06 B:1L0304 4.7 10.8 1.0 CA B:GLU158 4.8 15.0 1.0 C07 B:1L0304 5.0 10.8 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