Chlorine in PDB 1ikx: K103N Mutant Hiv-1 Reverse Transcriptase in Complex with the Inhibitor PNU142721

All present enzymatic activity of K103N Mutant Hiv-1 Reverse Transcriptase in Complex with the Inhibitor PNU142721:
2.7.7.49;

The structure of K103N Mutant Hiv-1 Reverse Transcriptase in Complex with the Inhibitor PNU142721, PDB code: 1ikx 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)	23.63 / 2.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	119.900, 156.400, 156.900, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 27.4

The binding sites of Chlorine atom in the K103N Mutant Hiv-1 Reverse Transcriptase in Complex with the Inhibitor PNU142721 (pdb code 1ikx). 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 K103N Mutant Hiv-1 Reverse Transcriptase in Complex with the Inhibitor PNU142721, PDB code: 1ikx:

Chlorine binding site 1 out of 1 in the K103N Mutant Hiv-1 Reverse Transcriptase in Complex with the Inhibitor PNU142721


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of K103N Mutant Hiv-1 Reverse Transcriptase in Complex with the Inhibitor PNU142721 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2000 b:33.7 occ:1.00 CL19 A:PNU2000 0.0 33.7 1.0 C5 A:PNU2000 1.6 30.8 1.0 N6 A:PNU2000 2.6 30.5 1.0 C4 A:PNU2000 2.6 29.9 1.0 CB A:LEU234 3.4 44.2 1.0 CD2 A:PHE227 3.6 62.0 1.0 CE2 A:PHE227 3.8 63.6 1.0 C1 A:PNU2000 3.8 29.4 1.0 CG A:LEU234 3.9 45.4 1.0 CG2 A:VAL106 3.9 54.0 1.0 C3 A:PNU2000 3.9 29.5 1.0 CG1 A:VAL106 4.2 55.3 1.0 C11 A:PNU2000 4.2 28.0 1.0 N2 A:PNU2000 4.4 27.0 1.0 OH A:TYR318 4.5 32.2 1.0 CB A:VAL106 4.5 54.6 1.0 O A:HIS235 4.5 49.8 1.0 C A:LEU234 4.6 44.8 1.0 CA A:LEU234 4.6 44.3 1.0 CD2 A:LEU234 4.7 45.0 1.0 CG A:PHE227 4.8 60.6 1.0 O A:LEU234 4.8 44.9 1.0 N A:HIS235 4.9 45.7 1.0 C12 A:PNU2000 4.9 24.8 1.0 C A:HIS235 4.9 48.5 1.0 CD2 A:LEU100 5.0 30.9 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