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Chlorine in PDB 5fdl: Crystal Structure of K103N/Y181C Mutant Hiv-1 Reverse Transcriptase (Rt) in Complex with IDX899

Enzymatic activity of Crystal Structure of K103N/Y181C Mutant Hiv-1 Reverse Transcriptase (Rt) in Complex with IDX899

All present enzymatic activity of Crystal Structure of K103N/Y181C Mutant Hiv-1 Reverse Transcriptase (Rt) in Complex with IDX899:
2.7.7.49;

Protein crystallography data

The structure of Crystal Structure of K103N/Y181C Mutant Hiv-1 Reverse Transcriptase (Rt) in Complex with IDX899, PDB code: 5fdl was solved by C.B.Dousson, F.-R.Alexandre, T.Convard, M.Fisher, M.B.A.C.Lamers, P.M.Leonard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 94.15 / 3.10
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 118.260, 154.790, 154.730, 90.00, 90.00, 90.00
R / Rfree (%) 24.3 / 29.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of K103N/Y181C Mutant Hiv-1 Reverse Transcriptase (Rt) in Complex with IDX899 (pdb code 5fdl). 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 Crystal Structure of K103N/Y181C Mutant Hiv-1 Reverse Transcriptase (Rt) in Complex with IDX899, PDB code: 5fdl:

Chlorine binding site 1 out of 1 in 5fdl

Go back to Chlorine Binding Sites List in 5fdl
Chlorine binding site 1 out of 1 in the Crystal Structure of K103N/Y181C Mutant Hiv-1 Reverse Transcriptase (Rt) in Complex with IDX899


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 K103N/Y181C Mutant Hiv-1 Reverse Transcriptase (Rt) in Complex with IDX899 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:57.5
occ:1.00
 CL A:5DV601 0.0 57.5 1.0
CAA A:5DV601 1.7 55.4 1.0
CAF A:5DV601 2.7 54.6 1.0
CAB A:5DV601 2.7 55.5 1.0
O A:LEU234 3.6 57.4 1.0
O A:HIS235 3.6 57.6 1.0
CG1 A:VAL106 3.8 91.2 1.0
CD2 A:PHE227 3.8 58.7 1.0
CB A:LEU234 3.8 57.6 1.0
CG2 A:VAL106 3.9 91.6 1.0
CE2 A:PHE227 3.9 59.5 1.0
C A:LEU234 4.0 57.2 1.0
CAC A:5DV601 4.0 55.3 1.0
CAE A:5DV601 4.0 54.8 1.0
C A:HIS235 4.1 58.5 1.0
CB A:VAL106 4.1 90.7 1.0
OH A:TYR318 4.4 47.9 1.0
CAD A:5DV601 4.5 55.5 1.0
CA A:LEU234 4.5 56.7 1.0
CA A:PRO236 4.6 64.3 1.0
N A:HIS235 4.6 58.3 1.0
N A:PRO236 4.6 62.5 1.0
CA A:HIS235 4.8 58.0 1.0

Reference:

C.Dousson, F.R.Alexandre, A.Amador, S.Bonaric, S.Bot, C.Caillet, T.Convard, D.Da Costa, M.P.Lioure, A.Roland, E.Rosinovsky, S.Maldonado, C.Parsy, C.Trochet, R.Storer, A.Stewart, J.Wang, B.A.Mayes, C.Musiu, B.Poddesu, L.Vargiu, M.Liuzzi, A.Moussa, J.Jakubik, L.Hubbard, M.Seifer, D.Standring. Discovery of the Aryl-Phospho-Indole IDX899, A Highly Potent Anti-Hiv Non-Nucleoside Reverse Transcriptase Inhibitor. J.Med.Chem. V. 59 1891 2016.
ISSN: ISSN 0022-2623
PubMed: 26804933
DOI: 10.1021/ACS.JMEDCHEM.5B01430
Page generated: Fri Jul 26 07:49:00 2024

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