Magnesium in PDB 6puy: Structure of Hiv Cleaved Synaptic Complex (Csc) Intasome Bound with Magnesium and Insti XZ426 (Compound 4D)

The structure of Structure of Hiv Cleaved Synaptic Complex (Csc) Intasome Bound with Magnesium and Insti XZ426 (Compound 4D) also contains other interesting chemical elements:

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

The binding sites of Magnesium atom in the Structure of Hiv Cleaved Synaptic Complex (Csc) Intasome Bound with Magnesium and Insti XZ426 (Compound 4D) (pdb code 6puy). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of Hiv Cleaved Synaptic Complex (Csc) Intasome Bound with Magnesium and Insti XZ426 (Compound 4D), PDB code: 6puy:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of Hiv Cleaved Synaptic Complex (Csc) Intasome Bound with Magnesium and Insti XZ426 (Compound 4D)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Hiv Cleaved Synaptic Complex (Csc) Intasome Bound with Magnesium and Insti XZ426 (Compound 4D) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:19.1 occ:1.00 O A:HOH414 1.8 29.1 1.0 OAX A:OZ1304 1.9 26.8 1.0 NAS A:OZ1304 1.9 23.5 1.0 O A:HOH413 1.9 33.3 1.0 OD1 A:ASP64 2.1 13.1 1.0 OD2 A:ASP116 2.1 25.9 1.0 NAU A:OZ1304 2.6 27.1 1.0 CAT A:OZ1304 2.6 22.6 1.0 CAR A:OZ1304 3.0 27.6 1.0 CG A:ASP64 3.1 13.3 1.0 CG A:ASP116 3.2 28.7 1.0 OD2 A:ASP64 3.5 13.1 1.0 OD1 A:ASP116 3.6 38.0 1.0 MG A:MG302 3.8 22.8 1.0 CAV A:OZ1304 3.9 24.3 1.0 CAO A:OZ1304 4.0 19.1 1.0 O A:CYS65 4.0 36.8 1.0 N1 F:DA21 4.2 28.6 0.7 OE2 A:GLU152 4.3 20.4 1.0 O A:HOH423 4.3 18.8 1.0 CAQ A:OZ1304 4.3 28.5 1.0 O F:HOH101 4.3 35.8 1.0 N A:CYS65 4.4 27.8 1.0 OAW A:OZ1304 4.4 25.2 1.0 O A:HOH403 4.5 42.3 1.0 CB A:ASP116 4.5 19.9 1.0 CB A:ASP64 4.5 14.5 1.0 C2 F:DA21 4.6 31.6 0.7 CAP A:OZ1304 4.6 19.7 1.0 CA A:ASP64 4.8 11.6 1.0 O A:HOH404 4.8 20.3 1.0 CE2 A:PHE121 4.9 24.2 1.0 CAN A:OZ1304 4.9 23.1 1.0 C A:CYS65 4.9 29.7 1.0 CAM A:OZ1304 4.9 22.3 1.0 C6 F:DA21 5.0 33.4 0.7

Magnesium binding site 2 out of 2 in the Structure of Hiv Cleaved Synaptic Complex (Csc) Intasome Bound with Magnesium and Insti XZ426 (Compound 4D)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Hiv Cleaved Synaptic Complex (Csc) Intasome Bound with Magnesium and Insti XZ426 (Compound 4D) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:22.8 occ:1.00 O F:HOH101 1.7 35.8 1.0 OAW A:OZ1304 1.7 25.2 1.0 OE1 A:GLU152 2.0 21.0 1.0 OD2 A:ASP64 2.0 13.1 1.0 OAX A:OZ1304 2.1 26.8 1.0 OE2 A:GLU152 2.1 20.4 1.0 CD A:GLU152 2.3 16.9 1.0 CAV A:OZ1304 2.5 24.3 1.0 NAU A:OZ1304 2.6 27.1 1.0 CG A:ASP64 3.2 13.3 1.0 ND2 A:ASN155 3.6 27.4 1.0 OP1 F:DA21 3.6 44.0 0.7 OD1 A:ASP64 3.6 13.1 1.0 MG A:MG301 3.8 19.1 1.0 CG A:GLU152 3.8 10.0 1.0 CAM A:OZ1304 3.8 22.3 1.0 CAT A:OZ1304 3.9 22.6 1.0 O A:HOH414 4.0 29.1 1.0 C5' F:DA21 4.0 39.5 0.3 NAJ A:OZ1304 4.1 16.1 1.0 CB A:ASP64 4.4 14.5 1.0 OP1 F:DA21 4.5 41.2 0.3 CAK A:OZ1304 4.5 18.3 1.0 O A:HOH423 4.5 18.8 1.0 O A:CYS65 4.5 36.8 1.0 CB A:GLU152 4.6 10.7 1.0 O5' F:DA21 4.6 47.2 0.3 FAH A:OZ1304 4.6 18.6 1.0 NAS A:OZ1304 4.6 23.5 1.0 C2 F:DA21 4.7 31.6 0.7 O3' F:DC20 4.7 36.5 1.0 CA A:GLU152 4.8 13.7 1.0 CAN A:OZ1304 4.8 23.1 1.0 C2' F:DC20 4.9 27.8 1.0 P F:DA21 4.9 76.0 0.7 CG A:ASN155 4.9 18.1 1.0 CAO A:OZ1304 4.9 19.1 1.0 C5' F:DA21 4.9 41.5 0.7 P F:DA21 4.9 62.4 0.3 N3 F:DA21 5.0 42.2 0.7

D.O.Passos, M.Li, I.K.Jozwik, X.Z.Zhao, D.Santos-Martins, R.Yang, S.J.Smith, Y.Jeon, S.Forli, S.H.Hughes, T.R.Burke Jr., R.Craigie, D.Lyumkis. Structural Basis For Strand Transfer Inhibitor Binding to Hiv Intasomes. Science 2020.
ISSN: ESSN 1095-9203
PubMed: 32001521
DOI: 10.1126/SCIENCE.AAY8015