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Magnesium in PDB 2rki: Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with A Triazole Derived Nnrti

Enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with A Triazole Derived Nnrti

All present enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with A Triazole Derived Nnrti:
2.7.7.49;

Protein crystallography data

The structure of Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with A Triazole Derived Nnrti, PDB code: 2rki was solved by E.B.Lansdon, T.A.Kirschberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.88 / 2.30
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 118.391, 154.167, 154.488, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Other elements in 2rki:

The structure of Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with A Triazole Derived Nnrti also contains other interesting chemical elements:

Chlorine (Cl) 6 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with A Triazole Derived Nnrti (pdb code 2rki). 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 (Rt) in Complex with A Triazole Derived Nnrti, PDB code: 2rki:

Magnesium binding site 1 out of 1 in 2rki

Go back to Magnesium Binding Sites List in 2rki
Magnesium binding site 1 out of 1 in the Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with A Triazole Derived Nnrti


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 (Rt) in Complex with A Triazole Derived Nnrti within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg567

b:82.3
occ:1.00
CE A:MET184 3.6 51.8 1.0
OD2 A:ASP186 3.7 57.0 1.0
OD2 A:ASP185 4.4 64.0 1.0
O A:HOH753 4.5 55.8 1.0
CE2 A:TYR183 4.6 41.9 1.0
O2 A:SO4565 4.7 91.7 1.0
O3 A:SO4565 4.7 90.0 1.0
CG A:ASP186 4.8 53.3 1.0
O A:HOH595 4.8 37.4 1.0
CB A:MET184 4.8 44.2 1.0
SD A:MET184 4.9 55.1 1.0
CD2 A:TYR183 4.9 41.5 1.0

Reference:

T.A.Kirschberg, M.Balakrishnan, W.Huang, R.Hluhanich, N.Kutty, A.C.Liclican, D.J.Mccoll, N.H.Squires, E.B.Lansdon. Triazole Derivatives As Non-Nucleoside Inhibitors of Hiv-1 Reverse Transcriptase-Structure-Activity Relationships and Crystallographic Analysis. Bioorg.Med.Chem.Lett. V. 18 1131 2008.
ISSN: ISSN 0960-894X
PubMed: 18083512
DOI: 10.1016/J.BMCL.2007.11.127
Page generated: Mon Dec 14 07:38:38 2020

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