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Chlorine in PDB 3jvy: Hiv-1 Protease Mutant G86A with Darunavir

Enzymatic activity of Hiv-1 Protease Mutant G86A with Darunavir

All present enzymatic activity of Hiv-1 Protease Mutant G86A with Darunavir:
3.4.23.16;

Protein crystallography data

The structure of Hiv-1 Protease Mutant G86A with Darunavir, PDB code: 3jvy was solved by Y.Tie, I.T.Weber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.60
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 58.328, 86.433, 46.204, 90.00, 90.00, 90.00
R / Rfree (%) 18.6 / 25.6

Other elements in 3jvy:

The structure of Hiv-1 Protease Mutant G86A with Darunavir also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Hiv-1 Protease Mutant G86A with Darunavir (pdb code 3jvy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Hiv-1 Protease Mutant G86A with Darunavir, PDB code: 3jvy:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3jvy

Go back to Chlorine Binding Sites List in 3jvy
Chlorine binding site 1 out of 2 in the Hiv-1 Protease Mutant G86A with Darunavir


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hiv-1 Protease Mutant G86A with Darunavir within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:21.7
occ:1.00
O A:HOH1108 3.0 28.2 0.5
ND2 A:ASN88 3.2 14.9 1.0
N A:THR74 3.2 16.2 1.0
OG1 A:THR74 3.8 22.3 1.0
CA A:GLY73 3.8 16.0 1.0
CB A:ASN88 3.9 13.9 1.0
CB A:THR74 3.9 19.5 1.0
C A:GLY73 4.0 16.4 1.0
CG A:ASN88 4.0 15.0 1.0
CA A:THR74 4.1 16.6 1.0
O A:HOH1049 4.2 28.0 1.0
O A:ASN88 4.7 15.9 1.0
O A:THR74 4.8 18.9 1.0
CA A:ASN88 4.9 13.4 1.0

Chlorine binding site 2 out of 2 in 3jvy

Go back to Chlorine Binding Sites List in 3jvy
Chlorine binding site 2 out of 2 in the Hiv-1 Protease Mutant G86A with Darunavir


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Hiv-1 Protease Mutant G86A with Darunavir within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:23.8
occ:1.00
NZ B:LYS155 3.1 23.4 0.5
O B:HOH1095 3.2 12.7 0.5
CE B:LYS155 3.5 20.7 0.5
CD B:LYS155 3.7 32.7 0.5
CE B:LYS155 3.8 35.1 0.5
CH2 B:TRP142 3.9 18.1 1.0
CB B:PRO144 4.0 18.9 1.0
CZ3 B:TRP142 4.0 17.3 1.0
CG B:LYS155 4.1 25.9 0.5
CD B:LYS155 4.1 23.4 0.5
NZ B:LYS155 4.6 12.8 0.5
CA B:PRO144 4.8 15.8 1.0

Reference:

R.Ishima, Q.Gong, Y.Tie, I.T.Weber, J.M.Louis. Highly Conserved Glycine 86 and Arginine 87 Residues Contribute Differently to the Structure and Activity of the Mature Hiv-1 Protease Proteins V. 78 1015 2009.
ISSN: ISSN 0887-3585
PubMed: 19899162
DOI: 10.1002/PROT.22625
Page generated: Sat Dec 12 09:49:44 2020

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