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Chlorine in PDB 2avv: Kinetics, Stability, and Structural Changes in High Resolution Crystal Structures of Hiv-1 Protease with Drug Resistant Mutations L24I, I50V, and G73S

Enzymatic activity of Kinetics, Stability, and Structural Changes in High Resolution Crystal Structures of Hiv-1 Protease with Drug Resistant Mutations L24I, I50V, and G73S

All present enzymatic activity of Kinetics, Stability, and Structural Changes in High Resolution Crystal Structures of Hiv-1 Protease with Drug Resistant Mutations L24I, I50V, and G73S:
3.4.23.16;

Protein crystallography data

The structure of Kinetics, Stability, and Structural Changes in High Resolution Crystal Structures of Hiv-1 Protease with Drug Resistant Mutations L24I, I50V, and G73S, PDB code: 2avv was solved by F.Liu, P.I.Boross, Y.F.Wang, J.Tozser, J.M.Louis, R.W.Harrison, I.T.Weber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 51.270, 62.720, 59.220, 90.00, 98.15, 90.00
R / Rfree (%) 14.1 / 21

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Kinetics, Stability, and Structural Changes in High Resolution Crystal Structures of Hiv-1 Protease with Drug Resistant Mutations L24I, I50V, and G73S (pdb code 2avv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Kinetics, Stability, and Structural Changes in High Resolution Crystal Structures of Hiv-1 Protease with Drug Resistant Mutations L24I, I50V, and G73S, PDB code: 2avv:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 2avv

Go back to Chlorine Binding Sites List in 2avv
Chlorine binding site 1 out of 2 in the Kinetics, Stability, and Structural Changes in High Resolution Crystal Structures of Hiv-1 Protease with Drug Resistant Mutations L24I, I50V, and G73S


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Kinetics, Stability, and Structural Changes in High Resolution Crystal Structures of Hiv-1 Protease with Drug Resistant Mutations L24I, I50V, and G73S within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:44.8
occ:1.00
 O B:HOH1324 3.5 27.6 0.5
N B:SER37 3.6 20.6 1.0
OG B:SER37 3.8 31.5 1.0
CA B:MET36 4.1 18.7 1.0
CB B:SER37 4.3 25.0 1.0
C B:MET36 4.4 19.6 1.0
CB B:MET36 4.5 18.0 1.0
CA B:SER37 4.6 21.5 1.0

Chlorine binding site 2 out of 2 in 2avv

Go back to Chlorine Binding Sites List in 2avv
Chlorine binding site 2 out of 2 in the Kinetics, Stability, and Structural Changes in High Resolution Crystal Structures of Hiv-1 Protease with Drug Resistant Mutations L24I, I50V, and G73S


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Kinetics, Stability, and Structural Changes in High Resolution Crystal Structures of Hiv-1 Protease with Drug Resistant Mutations L24I, I50V, and G73S within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl501

b:53.4
occ:1.00
 O D:HOH1234 3.0 29.8 0.5
N D:GLU21 3.3 18.2 1.0
O D:HOH1213 3.4 25.5 0.5
CB D:LYS20 3.8 20.7 1.0
CA D:LYS20 3.9 18.5 1.0
ND2 D:ASN83 4.0 16.6 1.0
C D:LYS20 4.1 18.0 1.0
O D:GLU21 4.1 18.6 1.0
CB D:GLU21 4.2 24.4 1.0
CA D:GLU21 4.2 18.7 1.0
O D:HOH1153 4.4 22.6 0.5
CG D:GLU21 4.5 29.6 1.0
CG D:LYS20 4.6 22.9 1.0
C D:GLU21 4.7 18.5 1.0
O D:HOH1032 4.8 30.9 1.0

Reference:

F.Liu, P.I.Boross, Y.F.Wang, J.Tozser, J.M.Louis, R.W.Harrison, I.T.Weber. Kinetic, Stability, and Structural Changes in High-Resolution Crystal Structures of Hiv-1 Protease with Drug-Resistant Mutations L24I, I50V, and G73S. J.Mol.Biol. V. 354 789 2005.
ISSN: ISSN 0022-2836
PubMed: 16277992
DOI: 10.1016/J.JMB.2005.09.095
Page generated: Sat Dec 12 08:59:20 2020

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