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Magnesium in PDB 1tkt: Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GW426318

Enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GW426318

All present enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GW426318:
2.7.7.49;

Protein crystallography data

The structure of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GW426318, PDB code: 1tkt was solved by A.L.Hopkins, J.Ren, D.I.Stuart, D.K.Stammers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.83 / 2.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 138.200, 115.100, 65.200, 90.00, 90.00, 90.00
R / Rfree (%) 20.8 / 28.2

Other elements in 1tkt:

The structure of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GW426318 also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GW426318 (pdb code 1tkt). 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 Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GW426318, PDB code: 1tkt:

Magnesium binding site 1 out of 1 in 1tkt

Go back to Magnesium Binding Sites List in 1tkt
Magnesium binding site 1 out of 1 in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GW426318


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GW426318 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1303

b:62.6
occ:1.00
OD1 A:ASP443 2.9 82.1 1.0
CG A:ASP443 4.1 83.4 1.0
O A:VAL442 4.2 71.4 1.0
CG2 A:VAL536 4.5 59.0 1.0
OD2 A:ASP443 4.7 88.3 1.0
CB A:TYR441 4.7 66.1 1.0
CD2 A:TYR441 4.7 50.2 1.0

Reference:

A.L.Hopkins, J.Ren, J.Milton, R.J.Hazen, J.H.Chan, D.I.Stuart, D.K.Stammers. Design of Non-Nucleoside Inhibitors of Hiv-1 Reverse Transcriptase with Improved Drug Resistance Properties. 1. J.Med.Chem. V. 47 5912 2004.
ISSN: ISSN 0022-2623
PubMed: 15537346
DOI: 10.1021/JM040071Z
Page generated: Mon Dec 14 06:51:37 2020

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