Fluorine in PDB 7taz: Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Vm-1500A, A Non-Nucleoside Rt Inhibitor

Enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Vm-1500A, A Non-Nucleoside Rt Inhibitor

All present enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Vm-1500A, A Non-Nucleoside Rt Inhibitor:
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 (Rt) in Complex with Vm-1500A, A Non-Nucleoside Rt Inhibitor, PDB code: 7taz was solved by A.A.Snyder, C.J.Risener, K.A.Kirby, S.G.Sarafianos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.62 / 2.40
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 163.05, 73.87, 108.64, 90, 99.96, 90
R / Rfree (%) 22.3 / 23.6

Other elements in 7taz:

The structure of Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Vm-1500A, A Non-Nucleoside Rt Inhibitor also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms
Bromine (Br) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Vm-1500A, A Non-Nucleoside Rt Inhibitor (pdb code 7taz). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Vm-1500A, A Non-Nucleoside Rt Inhibitor, PDB code: 7taz:

Fluorine binding site 1 out of 1 in 7taz

Go back to Fluorine Binding Sites List in 7taz
Fluorine binding site 1 out of 1 in the Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Vm-1500A, A Non-Nucleoside Rt Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Vm-1500A, A Non-Nucleoside Rt Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:74.3
occ:1.00
 F A:VM5601 0.0 74.3 1.0
C13 A:VM5601 1.5 69.1 1.0
C12 A:VM5601 2.5 68.1 1.0
C8 A:VM5601 2.5 58.3 1.0
C14 A:VM5601 2.8 70.4 1.0
O1 A:VM5601 2.9 60.8 1.0
N2 A:VM5601 3.1 80.8 1.0
C5 A:VM5601 3.1 63.3 1.0
C15 A:VM5601 3.5 71.1 1.0
CD1 A:LEU234 3.6 79.3 1.0
C6 A:VM5601 3.6 69.2 1.0
CL2 A:VM5601 3.7 89.5 1.0
C4 A:VM5601 3.7 66.1 1.0
C11 A:VM5601 3.7 64.6 1.0
C9 A:VM5601 3.8 62.3 1.0
CB A:LEU234 4.0 87.1 1.0
CD1 A:LEU100 4.0 82.1 1.0
C16 A:VM5601 4.0 85.3 1.0
OH A:TYR318 4.1 65.9 1.0
C21 A:VM5601 4.2 77.2 1.0
C10 A:VM5601 4.3 68.1 1.0
CG A:LEU234 4.3 83.8 1.0
CD2 A:PHE227 4.4 95.7 1.0
CE2 A:PHE227 4.4 93.9 1.0
CG1 A:VAL106 4.5 95.2 1.0
CG2 A:VAL106 4.5 89.5 1.0
C1 A:VM5601 4.5 71.6 1.0
C3 A:VM5601 4.6 76.2 1.0
O2 A:VM5601 4.6 67.9 1.0
CZ A:TYR318 4.7 61.8 1.0
CD2 A:LEU234 4.8 85.1 1.0
CB A:VAL106 4.9 90.6 1.0
C2 A:VM5601 4.9 70.7 1.0

Reference:

A.A.Snyder, C.J.Risener, K.A.Kirby, S.G.Stefan. Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Vm-1500A, A Non-Nucleoside Rt Inhibitor To Be Published.
Page generated: Fri Aug 2 13:23:41 2024

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