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

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

All present enzymatic activity of Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Dsdna 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 Dsdna and (+)Ftc-Tp, PDB code: 6otz was solved by N.Bertoletti, K.S.Anderson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	29.82 / 2.86
*Space group*	C 2 2 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	167.069, 170.368, 103.188, 90.00, 90.00, 90.00
*R / R_free (%)*	19.8 / 24.1

Other elements in 6otz:

The structure of Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Dsdna 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 Dsdna and (+)Ftc-Tp (pdb code 6otz). 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 Dsdna and (+)Ftc-Tp, PDB code: 6otz:

Fluorine binding site 1 out of 1 in 6otz

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Fluorine Binding Sites List in 6otz

Fluorine binding site 1 out of 1 in the Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Dsdna 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 Dsdna and (+)Ftc-Tp within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F604 b:38.1 occ:1.00	FAJ	A:N8G604	0.0	38.1	1.0
	CAU	A:N8G604	1.3	41.0	1.0
	CAK	A:N8G604	2.3	40.0	1.0
	CAT	A:N8G604	2.4	42.3	1.0
	NAA	A:N8G604	2.7	42.3	1.0
	NH2	A:ARG72	3.2	49.0	1.0
	CZ	A:ARG72	3.3	50.3	1.0
	NH1	A:ARG72	3.5	59.0	1.0
	NAY	A:N8G604	3.6	41.7	1.0
	NAN	A:N8G604	3.6	42.9	1.0
	N7	P:DDG822	3.6	37.2	1.0
	C5	P:DDG822	3.8	35.3	1.0
	NE	A:ARG72	3.9	46.6	1.0
	C8	P:DDG822	4.0	36.9	1.0
	CAV	A:N8G604	4.1	47.3	1.0
	C6	P:DDG822	4.2	31.0	1.0
	OAH	A:N8G604	4.3	32.8	1.0
	C4	P:DDG822	4.3	35.2	1.0
	O6	P:DDG822	4.4	32.3	1.0
	N9	P:DDG822	4.5	36.2	1.0
	OAO	A:N8G604	4.5	36.5	1.0
	CD	A:ARG72	4.7	45.8	1.0
	OAP	A:N8G604	4.8	41.8	1.0
	CAX	A:N8G604	4.8	41.0	1.0
	N1	P:DDG822	5.0	28.9	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 23:54:43 2024

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