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Sodium in PDB 2a1e: High Resolution Structure of Hiv-1 Pr with Ts-126

Enzymatic activity of High Resolution Structure of Hiv-1 Pr with Ts-126

All present enzymatic activity of High Resolution Structure of Hiv-1 Pr with Ts-126:
3.4.23.16;

Protein crystallography data

The structure of High Resolution Structure of Hiv-1 Pr with Ts-126, PDB code: 2a1e was solved by N.Demitri, S.Geremia, L.Randaccio, J.Wuerges, F.Benedetti, F.Berti, F.Dinon, P.Campaner, G.Tell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.30
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 57.269, 84.956, 46.061, 90.00, 90.00, 90.00
R / Rfree (%) 15.6 / 20.1

Other elements in 2a1e:

The structure of High Resolution Structure of Hiv-1 Pr with Ts-126 also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Sodium Binding Sites:

The binding sites of Sodium atom in the High Resolution Structure of Hiv-1 Pr with Ts-126 (pdb code 2a1e). 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 High Resolution Structure of Hiv-1 Pr with Ts-126, PDB code: 2a1e:

Sodium binding site 1 out of 1 in 2a1e

Go back to Sodium Binding Sites List in 2a1e
Sodium binding site 1 out of 1 in the High Resolution Structure of Hiv-1 Pr with Ts-126


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of High Resolution Structure of Hiv-1 Pr with Ts-126 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na305

b:22.9
occ:1.00
OE2 B:GLU65 2.7 23.1 1.0
HZ3 B:LYS14 2.9 15.2 0.5
O B:HOH467 3.1 25.1 1.0
HZ2 B:LYS14 3.1 15.2 0.5
HE2 B:LYS14 3.3 10.8 0.5
O2 B:GOL304 3.3 14.4 0.5
NZ B:LYS14 3.4 10.1 0.5
CD B:GLU65 3.5 22.8 1.0
OE1 B:GLU65 3.7 30.9 1.0
HD2 B:LYS14 3.8 15.5 0.5
CE B:LYS14 3.8 9.0 0.5
HZ1 B:LYS14 3.8 22.3 0.5
C2 B:GOL304 3.9 14.7 0.5
HD3 B:LYS14 3.9 15.5 0.5
HZ3 B:LYS14 4.0 22.3 0.5
O1 B:GOL304 4.0 19.5 0.5
HZ1 B:LYS14 4.2 15.2 0.5
C1 B:GOL304 4.3 27.6 0.5
CD B:LYS14 4.3 12.9 0.5
HD3 B:LYS14 4.3 10.3 0.5
NZ B:LYS14 4.3 14.9 0.5
O3 B:GOL304 4.4 11.1 0.5
HE3 B:LYS14 4.6 10.8 0.5
CD B:LYS14 4.7 8.6 0.5
C3 B:GOL304 4.7 21.9 0.5
C3 B:GOL304 4.8 12.8 0.5
HA2 B:GLY68 4.9 18.5 1.0
CG B:GLU65 5.0 23.7 1.0
HB2 B:LYS14 5.0 12.6 0.5

Reference:

S.Geremia, N.Demitri, J.Wuerges, F.Benedetti, F.Berti, G.Tell, L.Randaccio. A Potent Hiv Protease Inhibitor Identified in An Epimeric Mixture By High-Resolution Protein Crystallography. Chemmedchem V. 1 186 2006.
ISSN: ISSN 1860-7179
PubMed: 16892350
DOI: 10.1002/CMDC.200500063
Page generated: Mon Oct 7 01:46:49 2024

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