Magnesium in PDB 6dug: Crystal Structure of Hiv-1 Reverse Transcriptase K101P Mutant in Complex with Non-Nucleoside Inhibitor 25A

Enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase K101P Mutant in Complex with Non-Nucleoside Inhibitor 25A

All present enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase K101P Mutant in Complex with Non-Nucleoside Inhibitor 25A:
2.7.7.49; 2.7.7.7; 3.1.26.13;

Protein crystallography data

The structure of Crystal Structure of Hiv-1 Reverse Transcriptase K101P Mutant in Complex with Non-Nucleoside Inhibitor 25A, PDB code: 6dug was solved by Y.Yang, L.A.Nguyen, Z.B.Smithline, T.A.Steitz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	55.00 / 2.23
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	163.041, 73.303, 109.306, 90.00, 99.76, 90.00
*R / R_free (%)*	18.5 / 23.3

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Hiv-1 Reverse Transcriptase K101P Mutant in Complex with Non-Nucleoside Inhibitor 25A (pdb code 6dug). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Hiv-1 Reverse Transcriptase K101P Mutant in Complex with Non-Nucleoside Inhibitor 25A, PDB code: 6dug:

Magnesium binding site 1 out of 1 in 6dug

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Magnesium Binding Sites List in 6dug

Magnesium binding site 1 out of 1 in the Crystal Structure of Hiv-1 Reverse Transcriptase K101P Mutant in Complex with Non-Nucleoside Inhibitor 25A

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Hiv-1 Reverse Transcriptase K101P Mutant in Complex with Non-Nucleoside Inhibitor 25A within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg602 b:1.0 occ:1.00	O	A:HOH848	2.1	0.6	1.0
	O	A:HOH708	2.1	0.6	1.0
	O	A:HOH707	2.1	0.3	1.0
	O	A:HOH805	2.1	0.6	1.0
	OD1	A:ASP549	2.1	0.3	1.0
	OD2	A:ASP443	2.2	0.7	1.0
	CG	A:ASP443	3.0	92.7	1.0
	OD1	A:ASP443	3.1	0.3	1.0
	CG	A:ASP549	3.3	0.6	1.0
	OD2	A:ASP498	3.8	70.6	1.0
	O	A:HOH914	3.9	84.9	1.0
	CB	A:ASP549	3.9	98.6	1.0
	OD2	A:ASP549	4.2	0.1	1.0
	O	A:HOH817	4.3	90.5	1.0
	O	A:GLY444	4.3	67.9	1.0
	CA	A:ASP549	4.4	90.4	1.0
	CB	A:ASP443	4.4	75.2	1.0
	OD1	A:ASP498	4.5	64.1	1.0
	NE2	A:HIS539	4.5	0.9	1.0
	CG	A:ASP498	4.5	63.7	1.0
	OG	A:SER553	4.6	0.8	1.0

Reference:

Y.Yang, D.Kang, L.A.Nguyen, Z.B.Smithline, C.Pannecouque, P.Zhan, X.Liu, T.A.Steitz. Structural Basis For Potent and Broad Inhibition of Hiv-1 Rt By Thiophene[3,2-D]Pyrimidine Non-Nucleoside Inhibitors. Elife V. 7 2018.
ISSN: ESSN 2050-084X
PubMed: 30044217
DOI: 10.7554/ELIFE.36340

Page generated: Mon Sep 30 23:30:45 2024

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