Chlorine in PDB 1ikw: Wild Type Hiv-1 Reverse Transcriptase in Complex with Efavirenz

All present enzymatic activity of Wild Type Hiv-1 Reverse Transcriptase in Complex with Efavirenz:
2.7.7.49;

The structure of Wild Type Hiv-1 Reverse Transcriptase in Complex with Efavirenz, PDB code: 1ikw was solved by J.Lindberg, T.Unge, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.69 / 3.00
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	119.546, 157.310, 157.171, 90.00, 90.00, 90.00
R / Rfree (%)	21.8 / 27.2

The structure of Wild Type Hiv-1 Reverse Transcriptase in Complex with Efavirenz also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Chlorine atom in the Wild Type Hiv-1 Reverse Transcriptase in Complex with Efavirenz (pdb code 1ikw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Wild Type Hiv-1 Reverse Transcriptase in Complex with Efavirenz, PDB code: 1ikw:

Chlorine binding site 1 out of 1 in the Wild Type Hiv-1 Reverse Transcriptase in Complex with Efavirenz


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Wild Type Hiv-1 Reverse Transcriptase in Complex with Efavirenz within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2000 b:43.8 occ:1.00 CL A:EFZ2000 0.0 43.8 1.0 C4 A:EFZ2000 1.3 49.9 1.0 C5 A:EFZ2000 2.4 46.5 1.0 C3 A:EFZ2000 2.4 54.0 1.0 CD2 A:PHE227 3.4 83.0 1.0 CB A:LEU234 3.4 52.3 1.0 C2 A:EFZ2000 3.7 50.6 1.0 C6 A:EFZ2000 3.7 46.3 1.0 CG1 A:VAL106 3.8 66.5 1.0 CE2 A:PHE227 3.9 85.1 1.0 C A:LEU234 3.9 56.8 1.0 O A:LEU234 4.0 59.5 1.0 C A:HIS235 4.0 62.1 1.0 CG2 A:VAL106 4.1 65.5 1.0 O A:HIS235 4.1 62.6 1.0 N A:HIS235 4.1 57.9 1.0 C1 A:EFZ2000 4.2 47.3 1.0 OH A:TYR318 4.3 51.1 1.0 CA A:LEU234 4.3 54.4 1.0 N A:PRO236 4.3 63.7 1.0 CG A:PHE227 4.4 80.5 1.0 CA A:HIS235 4.4 60.1 1.0 CG A:LEU234 4.4 51.2 1.0 CB A:VAL106 4.4 66.7 1.0 CB A:PHE227 4.6 77.7 1.0 CG A:PRO225 4.6 91.6 1.0 CB A:PRO225 4.6 90.5 1.0 CA A:PRO236 4.7 63.8 1.0 CD2 A:LEU234 4.9 49.2 1.0

J.Lindberg, S.Sigurdsson, S.Lowgren, H.O.Andersson, C.Sahlberg, R.Noreen, K.Fridborg, H.Zhang, T.Unge. Structural Basis For the Inhibitory Efficacy of Efavirenz (Dmp-266), MSC194 and PNU142721 Towards the Hiv-1 Rt K103N Mutant. Eur.J.Biochem. V. 269 1670 2002.
ISSN: ISSN 0014-2956
PubMed: 11895437
DOI: 10.1046/J.1432-1327.2002.02811.X