Chlorine in PDB 7u5z: Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with JLJ353

Enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with JLJ353

All present enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with JLJ353:
2.7.7.49; 2.7.7.7; 3.1.13.2; 3.1.26.13;

Protein crystallography data

The structure of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with JLJ353, PDB code: 7u5z was solved by K.Hollander, Z.Carter, W.L.Jorgensen, K.S.Anderson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.90 / 2.30
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 162.872, 73.538, 109.226, 90, 100.47, 90
R / Rfree (%) 23.3 / 28

Other elements in 7u5z:

The structure of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with JLJ353 also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with JLJ353 (pdb code 7u5z). 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 Hiv-1 Reverse Transcriptase in Complex with JLJ353, PDB code: 7u5z:

Chlorine binding site 1 out of 1 in 7u5z

Go back to Chlorine Binding Sites List in 7u5z
Chlorine binding site 1 out of 1 in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with JLJ353


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 JLJ353 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:108.2
occ:1.00
 CL1 A:LE8601 0.0 108.2 1.0
C12 A:LE8601 1.7 71.4 1.0
C13 A:LE8601 2.7 63.7 1.0
C10 A:LE8601 2.7 72.6 1.0
H7 A:LE8601 2.8 76.5 1.0
C11 A:LE8601 3.1 76.9 1.0
H10 A:LE8601 3.3 75.0 1.0
CG1 A:VAL106 3.5 73.9 1.0
F1 A:LE8601 3.6 68.8 1.0
CD2 A:TYR188 3.6 69.5 1.0
N3 A:LE8601 3.9 80.3 1.0
CE1 A:PHE227 3.9 87.6 1.0
CD1 A:PHE227 4.0 82.9 1.0
CD1 A:LEU234 4.0 66.3 1.0
C7 A:LE8601 4.0 58.5 1.0
CE2 A:TYR188 4.0 72.8 1.0
C17 A:LE8601 4.0 62.5 1.0
C9 A:LE8601 4.0 64.2 1.0
C1 A:LE8601 4.2 65.2 1.0
CB A:VAL106 4.5 76.6 1.0
CG2 A:VAL106 4.5 72.8 1.0
CB A:LEU234 4.5 81.5 1.0
C8 A:LE8601 4.5 62.8 1.0
CZ A:PHE227 4.7 91.4 1.0
CG A:TYR188 4.7 74.6 1.0
CG A:PHE227 4.8 87.1 1.0
O1 A:LE8601 4.8 65.2 1.0
H6 A:LE8601 4.9 77.0 1.0
CG A:LEU234 4.9 78.7 1.0

Reference:

Z.J.Carter, K.Hollander, K.A.Spasov, K.S.Anderson, W.L.Jorgensen. Design, Synthesis, and Biological Testing of Biphenylmethyloxazole Inhibitors Targeting Hiv-1 Reverse Transcriptase. Bioorg.Med.Chem.Lett. 29216 2023.
ISSN: ESSN 1464-3405
PubMed: 36871704
DOI: 10.1016/J.BMCL.2023.129216
Page generated: Tue Jul 30 04:57:16 2024

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