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Magnesium in PDB 5vj3: Hiv Protease (Pr) in Open Form with MG2+ in Active Site and Hive-9 in Eye Site

Enzymatic activity of Hiv Protease (Pr) in Open Form with MG2+ in Active Site and Hive-9 in Eye Site

All present enzymatic activity of Hiv Protease (Pr) in Open Form with MG2+ in Active Site and Hive-9 in Eye Site:
3.4.23.16;

Protein crystallography data

The structure of Hiv Protease (Pr) in Open Form with MG2+ in Active Site and Hive-9 in Eye Site, PDB code: 5vj3 was solved by T.Tiefenbrunn, C.D.Stout, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.47 / 2.00
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 48.925, 48.925, 103.012, 90.00, 90.00, 90.00
R / Rfree (%) 21.9 / 27.9

Other elements in 5vj3:

The structure of Hiv Protease (Pr) in Open Form with MG2+ in Active Site and Hive-9 in Eye Site also contains other interesting chemical elements:

Fluorine (F) 3 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Hiv Protease (Pr) in Open Form with MG2+ in Active Site and Hive-9 in Eye Site (pdb code 5vj3). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Hiv Protease (Pr) in Open Form with MG2+ in Active Site and Hive-9 in Eye Site, PDB code: 5vj3:

Magnesium binding site 1 out of 1 in 5vj3

Go back to Magnesium Binding Sites List in 5vj3
Magnesium binding site 1 out of 1 in the Hiv Protease (Pr) in Open Form with MG2+ in Active Site and Hive-9 in Eye Site


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Hiv Protease (Pr) in Open Form with MG2+ in Active Site and Hive-9 in Eye Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1102

b:46.8
occ:0.50
 O A:HOH1233 2.0 49.6 0.5
O A:HOH1224 2.1 43.8 0.5
O A:HOH1207 2.1 45.5 0.5
O A:HOH1227 2.2 50.1 0.5
O A:HOH1212 2.2 40.4 0.5
O A:HOH1209 2.3 36.9 0.5
O A:HOH1218 3.7 50.1 1.0
OD2 A:ASP1025 4.0 35.6 1.0
OD1 A:ASP1025 4.3 35.0 1.0
C29 A:HV91101 4.5 61.9 0.8
N08 A:HV91101 4.5 60.3 0.8
CG A:ASP1025 4.6 38.6 1.0
O A:GLY1027 4.7 38.6 1.0
C A:GLY1027 4.7 38.1 1.0
CA A:GLY1027 4.9 33.9 1.0
N10 A:HV91101 4.9 57.4 0.8

Reference:

S.Forli, T.Tiefenbrunn, M.M.Baksh, M.W.Chang, A.Perryman, D.Garg, M.Happer, Y.-C.Lin, D.Goodsell, E.L.Angelina, I.De Vera, D.Kojetin, B.E.Torbett, M.G.Finn, J.Elder, C.D.Stout, A.Olson. Fragment-Based Campaign For the Identification of Potential Exosite Binders of Hiv-1 Protease To Be Published.
Page generated: Mon Sep 30 06:10:25 2024

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