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 / R_free (%)*	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

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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: Sun Jul 13 03:17:51 2025

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