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Chlorine in PDB 3psu: Hiv-1 Protease in Complex with An Isobutyl Decorated Oligoamine (Symmetric Binding Mode)

Enzymatic activity of Hiv-1 Protease in Complex with An Isobutyl Decorated Oligoamine (Symmetric Binding Mode)

All present enzymatic activity of Hiv-1 Protease in Complex with An Isobutyl Decorated Oligoamine (Symmetric Binding Mode):
3.4.23.16;

Protein crystallography data

The structure of Hiv-1 Protease in Complex with An Isobutyl Decorated Oligoamine (Symmetric Binding Mode), PDB code: 3psu was solved by I.Lindemann, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.82 / 2.07
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 62.652, 62.652, 82.438, 90.00, 90.00, 120.00
R / Rfree (%) 18.4 / 24.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Hiv-1 Protease in Complex with An Isobutyl Decorated Oligoamine (Symmetric Binding Mode) (pdb code 3psu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Hiv-1 Protease in Complex with An Isobutyl Decorated Oligoamine (Symmetric Binding Mode), PDB code: 3psu:

Chlorine binding site 1 out of 1 in 3psu

Go back to Chlorine Binding Sites List in 3psu
Chlorine binding site 1 out of 1 in the Hiv-1 Protease in Complex with An Isobutyl Decorated Oligoamine (Symmetric Binding Mode)


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 in Complex with An Isobutyl Decorated Oligoamine (Symmetric Binding Mode) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl101

b:32.2
occ:1.00
 ND2 A:ASN88 3.1 16.1 1.0
N A:THR74 3.3 19.0 1.0
CA A:GLY73 3.6 20.0 1.0
CB A:ASN88 3.7 13.0 1.0
CG A:ASN88 3.9 18.4 1.0
C A:GLY73 4.0 20.7 1.0
O A:HOH157 4.0 34.7 1.0
OG1 A:THR74 4.2 27.7 1.0
CB A:THR74 4.2 25.9 1.0
CA A:THR74 4.3 16.8 1.0
NE2 A:GLN92 4.4 36.3 1.0
O A:ASN88 4.5 21.7 1.0
CA A:ASN88 4.7 17.4 1.0
O A:ILE72 4.8 25.6 1.0
C A:ASN88 4.8 24.0 1.0
O A:THR74 4.9 21.2 1.0
N A:GLY73 4.9 24.3 1.0
CD2 A:LEU89 5.0 17.9 1.0

Reference:

I.Lindemann, K.Linde, B.Sammet, A.Heine, W.E.Diederich, G.Klebe. Multiple Binding Modes of A Symmetric Inhibitor in Hiv-1 Protease To Be Published.
Page generated: Sun Jul 21 02:35:05 2024

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