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Chlorine in PDB 2aoe: Crystal Structure Analysis of Hiv-1 Protease Mutant V82A with A Substrate Analog Ca-P2

Enzymatic activity of Crystal Structure Analysis of Hiv-1 Protease Mutant V82A with A Substrate Analog Ca-P2

All present enzymatic activity of Crystal Structure Analysis of Hiv-1 Protease Mutant V82A with A Substrate Analog Ca-P2:
3.4.23.16;

Protein crystallography data

The structure of Crystal Structure Analysis of Hiv-1 Protease Mutant V82A with A Substrate Analog Ca-P2, PDB code: 2aoe was solved by Y.Tie, P.I.Boross, Y.F.Wang, L.Gaddis, F.Liu, X.Chen, J.Tozser, 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 / 1.54
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 57.892, 85.962, 46.190, 90.00, 90.00, 90.00
R / Rfree (%) 13 / 19.8

Other elements in 2aoe:

The structure of Crystal Structure Analysis of Hiv-1 Protease Mutant V82A with A Substrate Analog Ca-P2 also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure Analysis of Hiv-1 Protease Mutant V82A with A Substrate Analog Ca-P2 (pdb code 2aoe). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure Analysis of Hiv-1 Protease Mutant V82A with A Substrate Analog Ca-P2, PDB code: 2aoe:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 2aoe

Go back to Chlorine Binding Sites List in 2aoe
Chlorine binding site 1 out of 3 in the Crystal Structure Analysis of Hiv-1 Protease Mutant V82A with A Substrate Analog Ca-P2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure Analysis of Hiv-1 Protease Mutant V82A with A Substrate Analog Ca-P2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:22.1
occ:1.00
 N A:THR74 3.2 13.2 1.0
ND2 A:ASN88 3.3 15.3 1.0
CA A:GLY73 3.8 14.1 1.0
OG1 A:THR74 3.8 17.7 1.0
CB A:ASN88 3.8 11.4 1.0
CB A:THR74 3.8 13.3 1.0
C A:GLY73 4.0 12.7 1.0
CG A:ASN88 4.1 12.9 1.0
CA A:THR74 4.1 13.4 1.0
O A:HOH1130 4.3 24.1 1.0
O A:HOH1142 4.7 30.3 0.5
O A:ASN88 4.7 12.6 1.0
O A:THR74 4.7 14.2 1.0
CA A:ASN88 4.9 12.1 1.0
C A:THR74 5.0 12.9 1.0

Chlorine binding site 2 out of 3 in 2aoe

Go back to Chlorine Binding Sites List in 2aoe
Chlorine binding site 2 out of 3 in the Crystal Structure Analysis of Hiv-1 Protease Mutant V82A with A Substrate Analog Ca-P2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure Analysis of Hiv-1 Protease Mutant V82A with A Substrate Analog Ca-P2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:20.0
occ:1.00
 NE1 B:TRP106 3.3 15.0 1.0
O A:HOH1008 3.3 15.2 1.0
CZ2 B:TRP106 3.9 14.8 1.0
CE2 B:TRP106 4.0 13.8 1.0
CG2 B:THR104 4.1 18.6 1.0
CD1 B:TRP106 4.4 15.8 1.0
CB B:THR104 4.8 15.6 1.0

Chlorine binding site 3 out of 3 in 2aoe

Go back to Chlorine Binding Sites List in 2aoe
Chlorine binding site 3 out of 3 in the Crystal Structure Analysis of Hiv-1 Protease Mutant V82A with A Substrate Analog Ca-P2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure Analysis of Hiv-1 Protease Mutant V82A with A Substrate Analog Ca-P2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:20.1
occ:1.00
 O B:HOH1034 3.0 23.4 1.0
ND2 B:ASN188 3.2 12.5 1.0
N B:THR174 3.2 11.8 1.0
OG1 B:THR174 3.8 16.3 1.0
CA B:GLY173 3.8 12.4 1.0
CB B:THR174 3.8 12.7 1.0
CB B:ASN188 3.8 11.3 1.0
CG B:ASN188 4.0 12.1 1.0
C B:GLY173 4.0 10.6 1.0
CA B:THR174 4.1 11.6 1.0
O B:HOH1013 4.2 18.2 1.0
NE2 B:GLN192 4.5 13.8 1.0
O B:ASN188 4.5 14.6 1.0
CD2 B:LEU189 4.6 15.8 1.0
O B:THR174 4.7 12.3 1.0
O B:HOH1066 4.8 30.9 1.0
CA B:ASN188 4.8 10.5 1.0
C B:ASN188 4.9 10.0 1.0
C B:THR174 4.9 9.7 1.0

Reference:

Y.Tie, P.I.Boross, Y.F.Wang, L.Gaddis, F.Liu, X.Chen, J.Tozser, R.W.Harrison, I.T.Weber. Molecular Basis For Substrate Recognition and Drug Resistance From 1.1 to 1.6 Angstroms Resolution Crystal Structures of Hiv-1 Protease Mutants with Substrate Analogs. Febs J. V. 272 5265 2005.
ISSN: ISSN 1742-464X
PubMed: 16218957
DOI: 10.1111/J.1742-4658.2005.04923.X
Page generated: Sat Dec 12 08:59:02 2020

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