Magnesium in PDB 3v4i: Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) with Dna and Azttp

All present enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) with Dna and Azttp:
2.7.7.49; 2.7.7.7;

The structure of Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) with Dna and Azttp, PDB code: 3v4i was solved by K.Das, S.E.Martinez, E.Arnold, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.54 / 2.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	90.053, 132.647, 138.014, 90.00, 98.12, 90.00
R / Rfree (%)	22.9 / 26.2

The binding sites of Magnesium atom in the Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) with Dna and Azttp (pdb code 3v4i). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) with Dna and Azttp, PDB code: 3v4i:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) with Dna and Azttp


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) with Dna and Azttp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg600 b:87.3 occ:1.00 O2B A:AZT823 2.2 95.1 1.0 OD1 A:ASP110 2.2 92.1 1.0 OD1 A:ASP185 2.3 89.3 1.0 O A:VAL111 2.3 89.3 1.0 O2G A:AZT823 2.5 0.5 1.0 O1A A:AZT823 2.5 96.9 1.0 OD2 A:ASP110 2.8 96.0 1.0 CG A:ASP110 2.8 92.5 1.0 PB A:AZT823 2.8 0.8 1.0 O3A A:AZT823 3.0 0.6 1.0 PA A:AZT823 3.2 0.3 1.0 O3B A:AZT823 3.3 0.9 1.0 PG A:AZT823 3.4 0.6 1.0 C A:VAL111 3.5 85.8 1.0 CG A:ASP185 3.5 79.7 1.0 C5' A:AZT823 3.9 90.8 1.0 O5' A:AZT823 4.1 93.9 1.0 N A:VAL111 4.1 80.7 1.0 O1B A:AZT823 4.2 98.7 1.0 CB A:ASP110 4.3 86.1 1.0 O1G A:AZT823 4.3 1.0 1.0 OD2 A:ASP185 4.3 78.4 1.0 NZ A:LYS219 4.4 0.8 1.0 CA A:VAL111 4.4 80.3 1.0 O2A A:AZT823 4.4 92.3 1.0 N A:GLY112 4.5 86.9 1.0 O3G A:AZT823 4.5 0.5 1.0 CB A:ASP185 4.5 74.4 1.0 N A:ASP113 4.5 89.4 1.0 CA A:GLY112 4.6 89.1 1.0 C A:ASP110 4.6 83.5 1.0 CB A:ALA114 4.7 84.4 1.0 N A:ALA114 4.8 89.5 1.0 C A:GLY112 4.8 90.3 1.0 CA A:ASP110 4.9 82.6 1.0 CB A:VAL111 5.0 79.1 1.0 N4' P:ATM822 5.0 79.0 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) with Dna and Azttp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) with Dna and Azttp within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg600 b:82.7 occ:1.00 OD2 C:ASP110 2.4 88.8 1.0 O C:VAL111 2.4 89.5 1.0 O1A C:AZT823 2.5 88.8 1.0 O2B C:AZT823 2.5 93.5 1.0 O2G C:AZT823 2.5 0.8 1.0 OD2 C:ASP185 2.6 83.6 1.0 PB C:AZT823 3.0 0.5 1.0 OD1 C:ASP110 3.1 89.8 1.0 CG C:ASP110 3.1 87.1 1.0 O3B C:AZT823 3.1 0.5 1.0 O3A C:AZT823 3.2 0.7 1.0 PA C:AZT823 3.2 95.8 1.0 PG C:AZT823 3.3 0.6 1.0 C C:VAL111 3.5 86.8 1.0 CG C:ASP185 3.7 76.9 1.0 C5' C:AZT823 3.7 85.5 1.0 O5' C:AZT823 3.9 89.1 1.0 N C:VAL111 4.1 78.5 1.0 O1G C:AZT823 4.2 0.3 1.0 OD1 C:ASP185 4.3 73.2 1.0 NZ C:LYS219 4.3 96.1 1.0 CA C:VAL111 4.3 81.8 1.0 N C:ASP113 4.4 87.5 1.0 N C:GLY112 4.4 86.4 1.0 CB C:ALA114 4.4 81.9 1.0 O1B C:AZT823 4.4 98.9 1.0 N C:ALA114 4.5 88.7 1.0 O2A C:AZT823 4.5 92.6 1.0 O3G C:AZT823 4.5 0.6 1.0 CA C:GLY112 4.5 88.7 1.0 CB C:ASP110 4.5 83.6 1.0 C C:GLY112 4.7 88.9 1.0 CB C:ASP185 4.8 75.0 1.0 C C:ASP110 4.8 80.0 1.0 C4' C:AZT823 5.0 83.3 1.0

K.Das, S.E.Martinez, J.D.Bauman, E.Arnold. Hiv-1 Reverse Transcriptase Complex with Dna and Nevirapine Reveals Non-Nucleoside Inhibition Mechanism. Nat.Struct.Mol.Biol. V. 19 253 2012.
ISSN: ISSN 1545-9993
PubMed: 22266819
DOI: 10.1038/NSMB.2223