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

Other elements in 7oug:

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

Magnesium Binding Sites:

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 7oug

Go back to Magnesium Binding Sites List in 7oug
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 7oug

Go back to Magnesium Binding Sites List in 7oug
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 7oug

Go back to Magnesium Binding Sites List in 7oug
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 7oug

Go back to Magnesium Binding Sites List in 7oug
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

Reference:

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
Page generated: Sat Aug 21 16:47:44 2021

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