Chlorine 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:

Fluorine (F) 1 atom
Bromine (Br) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Vm-1500A, A Non-Nucleoside Rt Inhibitor, PDB code: 7taz:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 7taz

Go back to Chlorine Binding Sites List in 7taz
Chlorine binding site 1 out of 2 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 Chlorine with other atoms in the Cl 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:Cl601

b:87.5
occ:1.00
 CL1 A:VM5601 0.0 87.5 1.0
C3 A:VM5601 1.8 76.2 1.0
C2 A:VM5601 2.8 70.7 1.0
C4 A:VM5601 2.8 66.1 1.0
CH2 A:TRP229 3.7 86.2 1.0
CZ2 A:TRP229 3.9 81.8 1.0
O A:HOH867 3.9 99.9 1.0
CB A:PRO95 3.9 69.2 1.0
CG A:PRO95 4.0 74.1 1.0
CZ3 A:TRP229 4.0 87.1 1.0
CD2 A:LEU100 4.0 78.2 1.0
C1 A:VM5601 4.1 71.6 1.0
CD1 A:LEU100 4.1 82.1 1.0
C5 A:VM5601 4.1 63.3 1.0
CD2 A:TYR188 4.2 117.7 1.0
CE2 A:TYR188 4.2 117.9 1.0
CE2 A:TRP229 4.3 88.8 1.0
CE3 A:TRP229 4.4 84.6 1.0
CD2 A:TRP229 4.6 85.9 1.0
C6 A:VM5601 4.6 69.2 1.0
CG A:LEU100 4.6 80.5 1.0
CD1 A:LEU234 4.7 79.3 1.0
O A:HOH775 4.8 93.7 1.0
CD A:PRO95 4.9 69.7 1.0
CD2 A:TYR181 5.0 110.0 1.0

Chlorine binding site 2 out of 2 in 7taz

Go back to Chlorine Binding Sites List in 7taz
Chlorine binding site 2 out of 2 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 Chlorine with other atoms in the Cl binding site number 2 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:Cl601

b:89.5
occ:1.00
 CL2 A:VM5601 0.0 89.5 1.0
C21 A:VM5601 1.8 77.2 1.0
C20 A:VM5601 2.8 81.7 1.0
C16 A:VM5601 2.8 85.3 1.0
N2 A:VM5601 3.0 80.8 1.0
O A:HIS235 3.2 82.2 1.0
CE2 A:PHE227 3.2 93.9 1.0
O A:LEU234 3.3 80.2 1.0
C A:HIS235 3.4 79.8 1.0
CD2 A:PHE227 3.4 95.7 1.0
C A:LEU234 3.5 79.6 1.0
F A:VM5601 3.7 74.3 1.0
N A:HIS235 3.7 71.2 1.0
CB A:LEU234 3.9 87.1 1.0
CA A:HIS235 3.9 79.9 1.0
N A:PRO236 4.0 85.8 1.0
C19 A:VM5601 4.1 84.5 1.0
C17 A:VM5601 4.1 89.9 1.0
OH A:TYR318 4.2 65.9 1.0
CZ A:PHE227 4.2 86.5 1.0
CA A:LEU234 4.3 81.1 1.0
C15 A:VM5601 4.3 71.1 1.0
CA A:PRO236 4.3 85.2 1.0
CG A:PHE227 4.5 88.0 1.0
C18 A:VM5601 4.6 83.7 1.0
C13 A:VM5601 4.7 69.1 1.0
CB A:PRO225 4.7 100.3 1.0
CD A:PRO236 4.8 77.3 1.0
C14 A:VM5601 4.8 70.4 1.0
CG A:PRO225 4.9 100.2 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: Tue Jul 30 04:32:17 2024

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