Sodium in PDB 6o5x: Crystal Structure of Multi-Drug Resistant Hiv-1 Protease Pr-S17 with Substrate Analog Ca-P2

The structure of Crystal Structure of Multi-Drug Resistant Hiv-1 Protease Pr-S17 with Substrate Analog Ca-P2, PDB code: 6o5x was solved by J.Agniswamy, 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)	34.53 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.704, 60.358, 66.476, 90.00, 90.93, 90.00
R / Rfree (%)	17.6 / 21.2

The structure of Crystal Structure of Multi-Drug Resistant Hiv-1 Protease Pr-S17 with Substrate Analog Ca-P2 also contains other interesting chemical elements:

Chlorine

(Cl)

12 atoms

The binding sites of Sodium atom in the Crystal Structure of Multi-Drug Resistant Hiv-1 Protease Pr-S17 with Substrate Analog Ca-P2 (pdb code 6o5x). 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 Multi-Drug Resistant Hiv-1 Protease Pr-S17 with Substrate Analog Ca-P2, PDB code: 6o5x:

Sodium binding site 1 out of 1 in the Crystal Structure of Multi-Drug Resistant Hiv-1 Protease Pr-S17 with Substrate Analog Ca-P2


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 Multi-Drug Resistant Hiv-1 Protease Pr-S17 with Substrate Analog Ca-P2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Na104 b:13.6 occ:1.00 O B:GLN61 2.2 11.2 1.0 O B:HOH209 2.4 19.6 1.0 C B:GLN61 3.3 11.8 1.0 CB B:GLN61 3.7 13.0 1.0 O B:GLU60 4.0 13.5 1.0 CA B:GLN61 4.1 13.0 1.0 O B:HOH232 4.3 16.3 1.0 N B:VAL62 4.3 11.9 1.0 CA B:VAL62 4.5 11.9 1.0 O B:HOH227 4.7 16.6 1.0 CD B:PRO63 4.8 12.2 1.0 C B:GLU60 4.9 13.9 1.0

J.Agniswamy, D.W.Kneller, R.Brothers, Y.F.Wang, R.W.Harrison, I.T.Weber. Highly Drug-Resistant Hiv-1 Protease Mutant PRS17 Shows Enhanced Binding to Substrate Analogues. Acs Omega V. 4 8707 2019.
ISSN: ESSN 2470-1343
PubMed: 31172041
DOI: 10.1021/ACSOMEGA.9B00683