Chlorine in PDB 3qip: Structure of Hiv-1 Reverse Transcriptase in Complex with An Rnase H Inhibitor and Nevirapine

All present enzymatic activity of Structure of Hiv-1 Reverse Transcriptase in Complex with An Rnase H Inhibitor and Nevirapine:
2.7.7.49; 2.7.7.7; 3.1.26.13; 3.4.23.16;

The structure of Structure of Hiv-1 Reverse Transcriptase in Complex with An Rnase H Inhibitor and Nevirapine, PDB code: 3qip 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)	47.35 / 2.09
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	118.898, 154.876, 153.079, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 26.7

The structure of Structure of Hiv-1 Reverse Transcriptase in Complex with An Rnase H Inhibitor and Nevirapine also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Chlorine atom in the Structure of Hiv-1 Reverse Transcriptase in Complex with An Rnase H Inhibitor and Nevirapine (pdb code 3qip). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Hiv-1 Reverse Transcriptase in Complex with An Rnase H Inhibitor and Nevirapine, PDB code: 3qip:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Hiv-1 Reverse Transcriptase in Complex with An Rnase H Inhibitor and Nevirapine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Hiv-1 Reverse Transcriptase in Complex with An Rnase H Inhibitor and Nevirapine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl566 b:75.0 occ:1.00 O A:HOH742 2.6 69.4 1.0 OG A:SER515 3.1 71.0 1.0 N A:GLU516 3.3 69.9 1.0 CA A:SER515 3.7 67.1 1.0 CB A:SER515 3.8 68.8 1.0 N A:LEU517 3.9 64.7 1.0 C A:SER515 3.9 70.7 1.0 CA A:GLU516 4.2 71.0 1.0 CB A:GLU516 4.3 73.6 1.0 NZ A:LYS476 4.4 80.2 1.0 C A:GLU516 4.6 63.8 1.0 CB A:LEU517 4.7 62.0 1.0 CA A:LEU517 4.9 61.8 1.0

Chlorine binding site 2 out of 2 in the Structure of Hiv-1 Reverse Transcriptase in Complex with An Rnase H Inhibitor and Nevirapine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Hiv-1 Reverse Transcriptase in Complex with An Rnase H Inhibitor and Nevirapine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl441 b:67.0 occ:1.00 O B:HOH557 2.3 55.9 1.0 NE1 B:TRP239 4.2 59.0 1.0 N B:HIS235 4.2 49.4 1.0 CA B:LEU234 4.5 47.8 1.0 O B:GLU233 4.6 54.5 1.0 CD2 B:HIS235 4.7 48.4 1.0 C B:LEU234 4.9 49.1 1.0 CD2 B:LEU234 4.9 50.4 1.0 CD1 B:TRP239 4.9 57.0 1.0 CB B:HIS235 5.0 54.2 1.0

E.B.Lansdon, Q.Liu, S.A.Leavitt, M.Balakrishnan, J.K.Perry, C.Lancaster-Moyer, N.Kutty, X.Liu, N.H.Squires, W.J.Watkins, T.A.Kirschberg. Structural and Binding Analysis of Pyrimidinol Carboxylic Acid and N-Hydroxy Quinazolinedione Hiv-1 Rnase H Inhibitors. Antimicrob.Agents Chemother. V. 55 2905 2011.
ISSN: ISSN 0066-4804
PubMed: 21464257
DOI: 10.1128/AAC.01594-10