Magnesium in PDB 6c0l: Crystal Structure of Hiv-1 E138K Mutant Reverse Transcriptase in Complex with Non-Nucleoside Inhibitor K-5A2

Enzymatic activity of Crystal Structure of Hiv-1 E138K Mutant Reverse Transcriptase in Complex with Non-Nucleoside Inhibitor K-5A2

All present enzymatic activity of Crystal Structure of Hiv-1 E138K Mutant Reverse Transcriptase in Complex with Non-Nucleoside Inhibitor K-5A2:
2.7.7.49;

Protein crystallography data

The structure of Crystal Structure of Hiv-1 E138K Mutant Reverse Transcriptase in Complex with Non-Nucleoside Inhibitor K-5A2, PDB code: 6c0l 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)*	43.16 / 1.95
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	163.374, 72.788, 109.319, 90.00, 100.25, 90.00
*R / R_free (%)*	18.5 / 21.9

Other elements in 6c0l:

The structure of Crystal Structure of Hiv-1 E138K Mutant Reverse Transcriptase in Complex with Non-Nucleoside Inhibitor K-5A2 also contains other interesting chemical elements:

Sodium

(Na)

1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Hiv-1 E138K Mutant Reverse Transcriptase in Complex with Non-Nucleoside Inhibitor K-5A2 (pdb code 6c0l). 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 E138K Mutant Reverse Transcriptase in Complex with Non-Nucleoside Inhibitor K-5A2, PDB code: 6c0l:

Magnesium binding site 1 out of 1 in 6c0l

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Magnesium Binding Sites List in 6c0l

Magnesium binding site 1 out of 1 in the Crystal Structure of Hiv-1 E138K Mutant Reverse Transcriptase in Complex with Non-Nucleoside Inhibitor K-5A2

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 E138K Mutant Reverse Transcriptase in Complex with Non-Nucleoside Inhibitor K-5A2 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg602 b:66.8 occ:1.00	O	A:HOH804	2.0	58.1	1.0
	O	A:HOH704	2.1	65.5	1.0
	O	A:HOH910	2.1	68.8	1.0
	O	A:HOH930	2.1	67.2	1.0
	OD1	A:ASP549	2.2	78.6	1.0
	OD2	A:ASP443	2.3	69.6	1.0
	CG	A:ASP443	3.1	58.2	1.0
	OD1	A:ASP443	3.1	62.8	1.0
	CG	A:ASP549	3.2	75.7	1.0
	OD2	A:ASP498	3.5	52.8	1.0
	CB	A:ASP549	3.7	75.4	1.0
	O	A:HOH824	3.9	66.4	1.0
	CA	A:ASP549	4.3	73.3	1.0
	O	A:HOH1039	4.3	0.4	1.0
	OD2	A:ASP549	4.3	77.5	1.0
	O	A:HOH760	4.3	63.8	1.0
	CG	A:ASP498	4.3	54.9	1.0
	NE2	A:HIS539	4.4	89.4	1.0
	OD1	A:ASP498	4.4	52.6	1.0
	O	A:GLY444	4.6	58.0	1.0
	CB	A:ASP443	4.6	50.4	1.0
	O	A:HOH1085	4.7	93.3	1.0
	CB	A:ALA538	4.8	56.8	1.0
	CE1	A:HIS539	4.9	92.3	1.0
	O	A:HOH1036	4.9	76.8	1.0
	CD2	A:HIS539	5.0	89.0	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 20:05:18 2024

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