Chlorine in PDB 8dch: Crystal Structure of A Highly Resistant Hiv-1 Protease Clinical Isolate PR10X with Grl-0519 (Tris-Tetrahydrofuran As P2 Ligand)

All present enzymatic activity of Crystal Structure of A Highly Resistant Hiv-1 Protease Clinical Isolate PR10X with Grl-0519 (Tris-Tetrahydrofuran As P2 Ligand):
3.4.23.16;

The structure of Crystal Structure of A Highly Resistant Hiv-1 Protease Clinical Isolate PR10X with Grl-0519 (Tris-Tetrahydrofuran As P2 Ligand), PDB code: 8dch was solved by A.E.Wong-Sam, 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)	50.00 / 1.25
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	56.659, 56.659, 78.155, 90, 90, 90
R / Rfree (%)	n/a / n/a

The binding sites of Chlorine atom in the Crystal Structure of A Highly Resistant Hiv-1 Protease Clinical Isolate PR10X with Grl-0519 (Tris-Tetrahydrofuran As P2 Ligand) (pdb code 8dch). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of A Highly Resistant Hiv-1 Protease Clinical Isolate PR10X with Grl-0519 (Tris-Tetrahydrofuran As P2 Ligand), PDB code: 8dch:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of A Highly Resistant Hiv-1 Protease Clinical Isolate PR10X with Grl-0519 (Tris-Tetrahydrofuran As P2 Ligand)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of A Highly Resistant Hiv-1 Protease Clinical Isolate PR10X with Grl-0519 (Tris-Tetrahydrofuran As P2 Ligand) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:6.9 occ:1.00 N A:SER74 3.2 12.9 1.0 ND2 A:ASN88 3.2 15.2 1.0 CA A:GLY73 3.6 15.0 1.0 O A:HOH349 3.7 33.7 1.0 CB A:ASN88 3.7 12.7 1.0 C A:GLY73 3.9 12.7 1.0 CB A:SER74 4.0 15.5 1.0 CG A:ASN88 4.0 13.1 1.0 OG A:SER74 4.1 18.9 1.0 CA A:SER74 4.1 13.4 1.0 O A:ASN88 4.3 14.3 1.0 O A:HOH385 4.3 33.7 0.5 NE2 A:GLN92 4.5 17.9 1.0 O A:SER74 4.5 14.1 1.0 O A:HOH360 4.6 23.4 1.0 O A:HOH316 4.6 36.9 1.0 C A:ASN88 4.7 12.2 1.0 CA A:ASN88 4.7 11.7 1.0 O A:ILE72 4.8 14.9 1.0 C A:SER74 4.9 13.3 1.0 O A:HOH401 4.9 35.1 0.5 N A:GLY73 5.0 12.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of A Highly Resistant Hiv-1 Protease Clinical Isolate PR10X with Grl-0519 (Tris-Tetrahydrofuran As P2 Ligand)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of A Highly Resistant Hiv-1 Protease Clinical Isolate PR10X with Grl-0519 (Tris-Tetrahydrofuran As P2 Ligand) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl101 b:6.7 occ:1.00 N B:SER74 3.2 13.4 1.0 ND2 B:ASN88 3.3 14.9 1.0 CA B:GLY73 3.6 14.6 1.0 O B:HOH240 3.7 32.1 1.0 CB B:ASN88 3.7 12.3 1.0 C B:GLY73 3.9 12.9 1.0 CB B:SER74 3.9 16.5 1.0 CG B:ASN88 4.0 13.3 1.0 OG B:SER74 4.1 18.6 1.0 CA B:SER74 4.1 13.1 1.0 O B:HOH288 4.2 34.4 0.5 O B:ASN88 4.3 14.4 1.0 O B:HOH227 4.5 37.1 1.0 NE2 B:GLN92 4.5 17.9 1.0 O B:HOH302 4.5 37.9 0.5 O B:SER74 4.5 14.3 1.0 O B:HOH259 4.5 22.9 1.0 C B:ASN88 4.7 12.5 1.0 CA B:ASN88 4.7 12.2 1.0 O B:ILE72 4.8 14.3 1.0 C B:SER74 4.9 12.7 1.0 N B:GLY73 5.0 12.8 1.0

A.Wong-Sam, Y.F.Wang, D.W.Kneller, A.Y.Kovalevsky, A.K.Ghosh, R.W.Harrison, I.T.Weber. Hiv-1 Protease with 10 Lopinavir and Darunavir Resistance Mutations Exhibits Altered Inhibition, Structural Rearrangements and Extreme Dynamics. J.Mol.Graph.Model. V. 117 08315 2022.
ISSN: ISSN 1093-3263
PubMed: 36108568
DOI: 10.1016/J.JMGM.2022.108315