Chlorine in PDB 1ep4: Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with S- 1153

All present enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with S- 1153:
2.7.7.49;

The structure of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with S- 1153, PDB code: 1ep4 was solved by J.Ren, C.Nichols, L.E.Bird, T.Fujiwara, H.Suginoto, D.I.Stuart, D.K.Stammers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	135.700, 118.000, 67.300, 90.00, 90.00, 90.00
R / Rfree (%)	25.4 / 33

The binding sites of Chlorine atom in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with S- 1153 (pdb code 1ep4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with S- 1153, PDB code: 1ep4:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with S- 1153


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with S- 1153 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl999 b:69.5 occ:1.00 CL1 A:S11999 0.0 69.5 1.0 C8 A:S11999 1.7 59.7 1.0 C7 A:S11999 2.7 54.0 1.0 C9 A:S11999 2.7 58.0 1.0 CD1 A:TRP229 3.7 53.8 1.0 CZ A:TYR188 3.8 55.7 1.0 CE1 A:TYR188 3.8 52.9 1.0 CB A:TRP229 3.8 60.5 1.0 CG A:TRP229 3.9 56.5 1.0 OH A:TYR188 3.9 56.2 1.0 C6 A:S11999 4.0 49.0 1.0 C10 A:S11999 4.1 55.9 1.0 CB A:PHE227 4.2 61.1 1.0 CD1 A:TYR183 4.4 80.9 1.0 CE2 A:TYR188 4.4 57.9 1.0 CD1 A:TYR188 4.4 54.8 1.0 NE1 A:TRP229 4.5 55.3 1.0 C11 A:S11999 4.6 53.2 1.0 O A:LEU228 4.6 68.3 1.0 CG A:PHE227 4.8 58.0 1.0 CD2 A:TRP229 4.8 56.5 1.0 CE1 A:TYR181 4.9 53.2 1.0 CD2 A:LEU234 4.9 56.9 1.0 CA A:TRP229 4.9 62.9 1.0 CD2 A:TYR188 5.0 59.0 1.0 CE1 A:TYR183 5.0 82.4 1.0 CG A:TYR188 5.0 55.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with S- 1153


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with S- 1153 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl999 b:58.9 occ:1.00 CL2 A:S11999 0.0 58.9 1.0 C10 A:S11999 1.7 55.9 1.0 C9 A:S11999 2.7 58.0 1.0 C11 A:S11999 2.8 53.2 1.0 CE1 A:TYR181 3.8 53.2 1.0 CD1 A:LEU100 3.8 37.6 1.0 CZ2 A:TRP229 3.8 59.6 1.0 CH2 A:TRP229 3.9 59.1 1.0 CD2 A:LEU100 3.9 41.8 1.0 CD1 A:TYR181 4.0 54.7 1.0 CE2 A:TRP229 4.0 58.3 1.0 C8 A:S11999 4.0 59.7 1.0 CZ A:TYR181 4.1 55.2 1.0 C6 A:S11999 4.1 49.0 1.0 CZ3 A:TRP229 4.2 57.2 1.0 CG A:LEU100 4.3 40.1 1.0 CD2 A:TRP229 4.3 56.5 1.0 CE3 A:TRP229 4.4 54.9 1.0 CG A:TYR181 4.4 54.2 1.0 CE2 A:TYR181 4.5 58.3 1.0 C7 A:S11999 4.6 54.0 1.0 NE1 A:TRP229 4.6 55.3 1.0 OH A:TYR181 4.6 55.8 1.0 CD2 A:LEU234 4.6 56.9 1.0 CD2 A:TYR181 4.7 55.8 1.0 CG A:PRO95 5.0 66.7 1.0

J.Ren, C.Nichols, L.E.Bird, T.Fujiwara, H.Sugimoto, D.I.Stuart, D.K.Stammers. Binding of the Second Generation Non-Nucleoside Inhibitor S-1153 to Hiv-1 Reverse Transcriptase Involves Extensive Main Chain Hydrogen Bonding. J.Biol.Chem. V. 275 14316 2000.
ISSN: ISSN 0021-9258
PubMed: 10799511
DOI: 10.1074/JBC.275.19.14316