Sodium in PDB 3tkw: Crystal Structure of Hiv Protease Model Precursor/Darunavir Complex

Enzymatic activity of Crystal Structure of Hiv Protease Model Precursor/Darunavir Complex

All present enzymatic activity of Crystal Structure of Hiv Protease Model Precursor/Darunavir Complex:
3.4.23.16;

Protein crystallography data

The structure of Crystal Structure of Hiv Protease Model Precursor/Darunavir Complex, PDB code: 3tkw was solved by J.Agniswamy, J.Sayer, I.Weber, J.Louis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	10.00 / 1.55
*Space group*	P 2₁ 2₁ 2
*Cell size a, b, c (Å), α, β, γ (°)*	59.317, 86.223, 45.951, 90.00, 90.00, 90.00
*R / R_free (%)*	16.7 / 23.1

Other elements in 3tkw:

The structure of Crystal Structure of Hiv Protease Model Precursor/Darunavir Complex also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of Hiv Protease Model Precursor/Darunavir Complex (pdb code 3tkw). 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 Crystal Structure of Hiv Protease Model Precursor/Darunavir Complex, PDB code: 3tkw:

Sodium binding site 1 out of 1 in 3tkw

Go back to

Sodium Binding Sites List in 3tkw

Sodium binding site 1 out of 1 in the Crystal Structure of Hiv Protease Model Precursor/Darunavir Complex

Mono view

Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Hiv Protease Model Precursor/Darunavir Complex within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Na611 b:36.6 occ:1.00	O	A:HOH1054	2.3	30.6	1.0
	O	A:HOH1078	2.3	41.6	1.0
	O	A:ASP60	2.4	26.4	1.0
	O	A:HOH1062	2.5	36.9	1.0
	O	A:HOH1080	2.6	41.6	1.0
	O	A:HOH1027	2.6	29.8	1.0
	C	A:ASP60	3.4	24.0	1.0
	N	A:ASP60	3.8	22.8	1.0
	O	A:HOH1077	3.9	45.9	1.0
	CA	A:ASP60	4.1	22.4	1.0
	O	A:ARG41	4.1	26.8	1.0
	N	A:ARG41	4.5	31.4	1.0
	N	A:GLN61	4.5	25.2	1.0
	CB	A:ASP60	4.5	26.7	1.0
	CD1	A:ILE62	4.5	23.3	1.0
	O	A:GLN61	4.5	28.2	1.0
	CB	A:GLN61	4.6	28.2	1.0
	O	A:PRO39	4.6	33.3	1.0
	C	A:GLN61	4.7	24.5	1.0
	C	A:TYR59	4.7	21.0	1.0
	CA	A:GLN61	4.8	23.8	1.0
	CA	A:GLY40	4.9	33.0	1.0

Reference:

J.Agniswamy, J.M.Sayer, I.T.Weber, J.M.Louis. Terminal Interface Conformations Modulate Dimer Stability Prior to Amino Terminal Autoprocessing of Hiv-1 Protease. Biochemistry V. 51 1041 2012.
ISSN: ISSN 0006-2960
PubMed: 22242794
DOI: 10.1021/BI201809S

Page generated: Mon Oct 7 13:18:41 2024

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