Sodium in PDB 3s54: Hiv-1 Protease Triple Mutants V32I, I47V, V82I with Antiviral Drug Darunavir in Space Group P21212

Enzymatic activity of Hiv-1 Protease Triple Mutants V32I, I47V, V82I with Antiviral Drug Darunavir in Space Group P21212

All present enzymatic activity of Hiv-1 Protease Triple Mutants V32I, I47V, V82I with Antiviral Drug Darunavir in Space Group P21212:
3.4.23.16;

Protein crystallography data

The structure of Hiv-1 Protease Triple Mutants V32I, I47V, V82I with Antiviral Drug Darunavir in Space Group P21212, PDB code: 3s54 was solved by Y.-F.Tie, Y.-F.Wang, I.T.Weber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	10.00 / 1.42
*Space group*	P 2₁ 2₁ 2
*Cell size a, b, c (Å), α, β, γ (°)*	58.595, 86.161, 46.204, 90.00, 90.00, 90.00
*R / R_free (%)*	15.4 / 20.8

Other elements in 3s54:

The structure of Hiv-1 Protease Triple Mutants V32I, I47V, V82I with Antiviral Drug Darunavir in Space Group P21212 also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Hiv-1 Protease Triple Mutants V32I, I47V, V82I with Antiviral Drug Darunavir in Space Group P21212 (pdb code 3s54). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Hiv-1 Protease Triple Mutants V32I, I47V, V82I with Antiviral Drug Darunavir in Space Group P21212, PDB code: 3s54:

Sodium binding site 1 out of 1 in 3s54

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Sodium Binding Sites List in 3s54

Sodium binding site 1 out of 1 in the Hiv-1 Protease Triple Mutants V32I, I47V, V82I with Antiviral Drug Darunavir in Space Group P21212

Mono view

Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Hiv-1 Protease Triple Mutants V32I, I47V, V82I with Antiviral Drug Darunavir in Space Group P21212 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Na501 b:25.0 occ:1.00	O	A:HOH1088	2.2	24.9	1.0
	O	A:HOH1002	2.3	38.3	1.0
	O	A:ASP60	2.4	17.1	1.0
	O	A:HOH1097	2.5	25.1	1.0
	O	A:HOH1087	2.5	22.9	1.0
	O	A:HOH1101	2.7	38.0	1.0
	C	A:ASP60	3.4	17.1	1.0
	N	A:ASP60	3.8	15.2	1.0
	O	A:HOH1130	3.9	26.4	0.5
	CA	A:ASP60	4.0	15.9	1.0
	O	A:ARG41	4.2	22.4	1.0
	CB	A:GLN61	4.4	19.5	1.0
	N	A:GLN61	4.5	16.0	1.0
	CB	A:ASP60	4.5	19.0	1.0
	N	A:ARG41	4.5	25.3	1.0
	CD1	A:ILE62	4.6	19.6	1.0
	O	A:PRO39	4.6	24.3	1.0
	C	A:TYR59	4.7	12.5	1.0
	O	A:GLN61	4.7	22.6	1.0
	CA	A:GLN61	4.8	17.8	1.0
	C	A:GLN61	4.8	17.0	1.0
	CA	A:GLY40	4.8	25.0	1.0
	CG	A:ARG41	4.8	46.3	1.0
	C	A:GLY40	5.0	25.0	1.0

Reference:

Y.Tie, Y.F.Wang, P.I.Boross, T.Y.Chiu, A.K.Ghosh, J.Tozser, J.M.Louis, R.W.Harrison, I.T.Weber. Critical Differences in Hiv-1 and Hiv-2 Protease Specificity For Clinical Inhibitors. Protein Sci. V. 21 339 2012.
ISSN: ISSN 0961-8368
PubMed: 22238126
DOI: 10.1002/PRO.2019

Page generated: Mon Oct 7 12:54:07 2024

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