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

All present enzymatic activity of Structure of Hiv-1 Reverse Transcriptase in Complex with Dna, Dttp, 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, Dttp, and Ca(2+) Ion, PDB code: 7lri 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)	47.18 / 3.05
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	89.423, 131.073, 129.847, 90, 101.55, 90
R / Rfree (%)	21.1 / 24.4

The binding sites of Calcium atom in the Structure of Hiv-1 Reverse Transcriptase in Complex with Dna, Dttp, and Ca(2+) Ion (pdb code 7lri). 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, Dttp, and Ca(2+) Ion, PDB code: 7lri:
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, Dttp, 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, Dttp, and Ca(2+) Ion within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca602 b:103.0 occ:1.00 O1A A:TTP601 2.2 103.1 1.0 O2B A:TTP601 2.2 99.8 1.0 OD2 A:ASP185 2.3 105.1 1.0 OD2 A:ASP110 2.4 104.8 1.0 OD1 A:ASP110 2.4 119.8 1.0 O A:VAL111 2.5 114.7 1.0 O1G A:TTP601 2.5 128.8 1.0 PB A:TTP601 2.6 96.3 1.0 O3B A:TTP601 2.6 111.7 1.0 CG A:ASP110 2.7 105.2 1.0 O3A A:TTP601 2.8 109.0 1.0 PA A:TTP601 3.0 112.6 1.0 PG A:TTP601 3.1 111.8 1.0 CG A:ASP185 3.5 99.8 1.0 C A:VAL111 3.7 113.8 1.0 O1B A:TTP601 4.0 104.8 1.0 O5' A:TTP601 4.1 99.6 1.0 O2G A:TTP601 4.1 117.2 1.0 O2A A:TTP601 4.1 107.8 1.0 OD1 A:ASP185 4.2 94.9 1.0 C5' A:TTP601 4.2 96.1 1.0 CB A:ASP110 4.2 102.6 1.0 O3G A:TTP601 4.3 99.3 1.0 N A:VAL111 4.3 93.0 1.0 CA A:GLY112 4.4 108.0 1.0 N A:GLY112 4.5 111.9 1.0 CB A:ASP185 4.6 92.2 1.0 CA A:VAL111 4.6 101.5 1.0 NZ A:LYS220 4.7 108.3 1.0 C A:ASP110 4.7 101.0 1.0 N A:ASP113 4.8 129.3 1.0 C A:GLY112 4.9 118.0 1.0 O3' E:DG34 4.9 106.8 1.0 CA A:ASP110 5.0 94.1 1.0

Calcium binding site 2 out of 2 in the Structure of Hiv-1 Reverse Transcriptase in Complex with Dna, Dttp, 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, Dttp, and Ca(2+) Ion within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca601 b:152.1 occ:1.00 O C:VAL111 2.2 140.1 1.0 OD1 C:ASP110 2.4 153.8 1.0 OD2 C:ASP185 2.4 148.4 1.0 O2B C:TTP602 2.4 137.1 1.0 O1A C:TTP602 2.5 151.1 1.0 OD2 C:ASP110 2.5 156.8 1.0 O2G C:TTP602 2.6 151.3 1.0 O3A C:TTP602 2.7 154.7 1.0 CG C:ASP110 2.8 153.8 1.0 PB C:TTP602 3.0 141.4 1.0 PA C:TTP602 3.1 133.4 1.0 C C:VAL111 3.5 140.0 1.0 CG C:ASP185 3.6 132.2 1.0 O3B C:TTP602 3.6 144.2 1.0 PG C:TTP602 3.7 152.0 1.0 O5' C:TTP602 4.1 125.5 1.0 C5' C:TTP602 4.1 126.4 1.0 OD1 C:ASP185 4.2 134.8 1.0 N C:VAL111 4.2 133.3 1.0 CA C:GLY112 4.2 139.3 1.0 CB C:ASP110 4.3 150.1 1.0 N C:GLY112 4.3 136.6 1.0 NZ C:LYS220 4.3 138.9 1.0 O2A C:TTP602 4.4 123.6 1.0 O1B C:TTP602 4.4 130.2 1.0 CA C:VAL111 4.5 134.8 1.0 O3G C:TTP602 4.5 144.3 1.0 C C:ASP110 4.6 145.6 1.0 O3' F:DG34 4.6 158.0 1.0 CB C:ASP185 4.6 112.1 1.0 O1G C:TTP602 4.8 152.7 1.0 C C:GLY112 4.9 131.0 1.0 CB C:ALA114 5.0 144.0 1.0 N C:ASP113 5.0 124.7 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