Fluorine in PDB 6or7: Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Dna and (-)Ftc-Tp

Enzymatic activity of Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Dna and (-)Ftc-Tp

All present enzymatic activity of Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Dna and (-)Ftc-Tp:
2.7.7.49; 2.7.7.7; 3.1.26.13;

Protein crystallography data

The structure of Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Dna and (-)Ftc-Tp, PDB code: 6or7 was solved by N.Bertoletti, A.H.Chan, K.S.Anderson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	47.57 / 2.53
*Space group*	C 2 2 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	166.499, 169.825, 103.283, 90.00, 90.00, 90.00
*R / R_free (%)*	21.2 / 24.9

Other elements in 6or7:

The structure of Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Dna and (-)Ftc-Tp also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Dna and (-)Ftc-Tp (pdb code 6or7). 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 Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Dna and (-)Ftc-Tp, PDB code: 6or7:

Fluorine binding site 1 out of 1 in 6or7

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Fluorine Binding Sites List in 6or7

Fluorine binding site 1 out of 1 in the Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Dna and (-)Ftc-Tp

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Dna and (-)Ftc-Tp within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F601 b:56.4 occ:1.00	FAJ	A:1RY601	0.0	56.4	1.0
	CAU	A:1RY601	1.3	55.7	1.0
	CAK	A:1RY601	2.3	56.1	1.0
	CAT	A:1RY601	2.4	54.6	1.0
	NAA	A:1RY601	2.7	53.3	1.0
	NH2	A:ARG72	3.2	65.5	1.0
	CZ	A:ARG72	3.4	65.2	1.0
	NAY	A:1RY601	3.6	57.7	1.0
	NAN	A:1RY601	3.6	53.8	1.0
	N7	P:DDG822	3.6	45.1	1.0
	C5	P:DDG822	3.7	44.7	1.0
	NH1	A:ARG72	3.7	69.9	1.0
	C8	P:DDG822	4.0	45.5	1.0
	NE	A:ARG72	4.0	57.6	1.0
	C4	P:DDG822	4.1	44.4	1.0
	CAV	A:1RY601	4.1	55.3	1.0
	C6	P:DDG822	4.1	46.1	1.0
	N9	P:DDG822	4.3	44.2	1.0
	O6	P:DDG822	4.4	48.2	1.0
	C2'	P:DDG822	4.7	46.5	1.0
	N1	P:DDG822	4.7	46.1	1.0
	N3	P:DDG822	4.8	45.1	1.0
	CAX	A:1RY601	4.8	62.8	1.0
	CD	A:ARG72	4.9	57.7	1.0
	OAP	A:1RY601	5.0	65.3	1.0

Reference:

N.Bertoletti, A.H.Chan, R.F.Schinazi, Y.W.Yin, K.S.Anderson. Structural Insights Into the Recognition of Nucleoside Reverse Transcriptase Inhibitors By Hiv-1 Reverse Transcriptase: First Crystal Structures with Reverse Transcriptase and the Active Triphosphate Forms of Lamivudine and Emtricitabine. Protein Sci. V. 28 1664 2019.
ISSN: ESSN 1469-896X
PubMed: 31301259
DOI: 10.1002/PRO.3681

Page generated: Thu Aug 1 23:53:51 2024

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