Calcium in PDB 7lrx: Structure of Hiv-1 Reverse Transcriptase in Complex with Dna, L-Dctp, and Ca(2+) Ion

All present enzymatic activity of Structure of Hiv-1 Reverse Transcriptase in Complex with Dna, L-Dctp, and Ca(2+) Ion:
2.7.7.49; 2.7.7.7; 3.1.26.13;

The structure of Structure of Hiv-1 Reverse Transcriptase in Complex with Dna, L-Dctp, and Ca(2+) Ion, PDB code: 7lrx was solved by A.Hoang, F.X.Ruiz, E.Arnold, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	73.93 / 2.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	89.881, 132.622, 139.376, 90, 97.76, 90
R / Rfree (%)	20.8 / 24.7

The binding sites of Calcium atom in the Structure of Hiv-1 Reverse Transcriptase in Complex with Dna, L-Dctp, and Ca(2+) Ion (pdb code 7lrx). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of Hiv-1 Reverse Transcriptase in Complex with Dna, L-Dctp, and Ca(2+) Ion, PDB code: 7lrx:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of Hiv-1 Reverse Transcriptase in Complex with Dna, L-Dctp, and Ca(2+) Ion


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Hiv-1 Reverse Transcriptase in Complex with Dna, L-Dctp, and Ca(2+) Ion within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca603 b:130.6 occ:1.00 OAJ A:1S0602 2.6 133.8 1.0 OAG A:1S0602 2.6 140.9 1.0 OAN A:1S0602 2.6 129.0 1.0 OD2 A:ASP110 2.7 145.3 1.0 O A:VAL111 2.7 121.7 1.0 OAL A:1S0602 2.7 145.2 1.0 OD2 A:ASP185 2.7 114.5 1.0 OD1 A:ASP110 2.8 113.8 1.0 OAP A:1S0602 2.8 150.1 1.0 OAK A:1S0602 2.9 152.8 1.0 PAB A:1S0602 2.9 146.0 1.0 PAC A:1S0602 2.9 148.0 1.0 CG A:ASP110 3.0 121.7 1.0 PAA A:1S0602 3.1 142.5 1.0 C A:VAL111 3.8 123.0 1.0 CG A:ASP185 3.9 113.7 1.0 OAI A:1S0602 4.1 135.6 1.0 OAF A:1S0602 4.2 137.1 1.0 OAO A:1S0602 4.4 135.7 1.0 OAM A:1S0602 4.4 129.9 1.0 N A:VAL111 4.4 101.4 1.0 CA A:GLY112 4.5 115.3 1.0 CB A:ASP110 4.5 109.8 1.0 N A:GLY112 4.5 117.1 1.0 N A:ASP113 4.6 145.5 1.0 NZ A:LYS220 4.6 123.9 1.0 CB A:ASP185 4.6 97.8 1.0 CA A:VAL111 4.8 111.1 1.0 OD1 A:ASP185 4.8 115.5 1.0 C A:ASP110 4.8 115.0 1.0 CAX A:1S0602 4.8 127.5 1.0 C A:GLY112 4.9 125.0 1.0

Calcium binding site 2 out of 2 in the Structure of Hiv-1 Reverse Transcriptase in Complex with Dna, L-Dctp, and Ca(2+) Ion


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Hiv-1 Reverse Transcriptase in Complex with Dna, L-Dctp, and Ca(2+) Ion within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca603 b:148.8 occ:1.00 OD1 C:ASP110 2.3 149.9 1.0 OD2 C:ASP185 2.5 120.9 1.0 OD2 C:ASP110 2.5 139.9 1.0 OAL C:1S0602 2.7 146.6 1.0 O C:VAL111 2.8 119.6 1.0 CG C:ASP110 2.8 142.7 1.0 OAJ C:1S0602 2.8 133.3 1.0 OAP C:1S0602 3.1 142.5 1.0 CAX C:1S0602 3.6 141.4 1.0 PAA C:1S0602 3.7 157.6 1.0 PAB C:1S0602 3.7 173.9 1.0 CG C:ASP185 3.7 117.3 1.0 OAG C:1S0602 3.8 166.3 1.0 C C:VAL111 3.8 131.2 1.0 OAK C:1S0602 3.9 170.9 1.0 PAC C:1S0602 3.9 154.0 1.0 OAF C:1S0602 4.0 153.9 1.0 NZ C:LYS220 4.0 151.2 1.0 CB C:ASP110 4.3 120.2 1.0 OAN C:1S0602 4.4 157.3 1.0 CA C:GLY112 4.5 133.9 1.0 N C:VAL111 4.5 125.3 1.0 CB C:ASP185 4.5 111.0 1.0 N C:GLY112 4.6 130.4 1.0 OD1 C:ASP185 4.6 132.5 1.0 N C:ASP113 4.8 157.7 1.0 O3' F:DG33 4.8 128.5 1.0 CA C:VAL111 4.8 128.4 1.0 CAU C:1S0602 4.8 125.4 1.0 C C:ASP110 4.9 127.3 1.0 OD1 C:ASP186 5.0 139.0 1.0

F.X.Ruiz, A.Hoang, C.R.Dilmore, J.J.Destefano, E.Arnold. Structural Basis of Hiv Inhibition By L-Nucleosides: Opportunities For Drug Development and Repurposing. Drug Discov Today V. 27 1832 2022.
ISSN: ESSN 1878-5832
PubMed: 35218925
DOI: 10.1016/J.DRUDIS.2022.02.016