Chlorine in PDB 7ke0: Hiv-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor STP03-0404

Enzymatic activity of Hiv-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor STP03-0404

All present enzymatic activity of Hiv-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor STP03-0404:
2.7.7.49;

Protein crystallography data

The structure of Hiv-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor STP03-0404, PDB code: 7ke0 was solved by J.J.Lindenberger, M.Kvaratskhelia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 23.55 / 2.19
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 71.932, 71.932, 65.87, 90, 90, 120
R / Rfree (%) 25 / 26.9

Other elements in 7ke0:

The structure of Hiv-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor STP03-0404 also contains other interesting chemical elements:

Arsenic (As) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Hiv-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor STP03-0404 (pdb code 7ke0). 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 Hiv-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor STP03-0404, PDB code: 7ke0:

Chlorine binding site 1 out of 1 in 7ke0

Go back to Chlorine Binding Sites List in 7ke0
Chlorine binding site 1 out of 1 in the Hiv-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor STP03-0404


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hiv-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor STP03-0404 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:33.1
occ:1.00
 CLA A:WBV301 0.0 33.1 1.0
CAV A:WBV301 1.8 30.1 1.0
CAK A:WBV301 2.7 30.6 1.0
CAL A:WBV301 2.8 31.4 1.0
CB A:TRP132 3.6 29.1 1.0
CD1 A:LEU102 3.8 33.0 1.0
CA A:ALA129 3.9 26.8 1.0
CG A:TRP132 3.9 27.5 1.0
O A:ALA128 4.0 25.8 1.0
CAM A:WBV301 4.0 31.5 1.0
CAN A:WBV301 4.0 32.7 1.0
CD2 A:LEU102 4.1 28.0 1.0
N A:ALA129 4.2 26.1 1.0
C A:ALA128 4.3 27.8 1.0
CG A:LEU102 4.4 32.7 1.0
CD1 A:TRP132 4.5 29.9 1.0
CD2 A:TRP132 4.5 28.9 1.0
CB A:ALA129 4.5 26.6 1.0
CBA A:WBV301 4.6 31.1 1.0
C A:ALA129 4.9 28.1 1.0
O A:ALA129 4.9 25.6 1.0
CE3 A:TRP132 4.9 28.1 1.0

Reference:

J.J.Lindenberger, M.Kvaratskhelia. Hiv-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor STP03-0404 To Be Published.
Page generated: Mon Jul 29 23:31:33 2024

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