Atomistry » Chlorine » PDB 2ajf-2axw » 2aoc
Atomistry »
  Chlorine »
    PDB 2ajf-2axw »
      2aoc »

Chlorine in PDB 2aoc: Crystal Structure Analysis of Hiv-1 Protease Mutant I84V with A Substrate Analog P2-Nc

Enzymatic activity of Crystal Structure Analysis of Hiv-1 Protease Mutant I84V with A Substrate Analog P2-Nc

All present enzymatic activity of Crystal Structure Analysis of Hiv-1 Protease Mutant I84V with A Substrate Analog P2-Nc:
3.4.23.16;

Protein crystallography data

The structure of Crystal Structure Analysis of Hiv-1 Protease Mutant I84V with A Substrate Analog P2-Nc, PDB code: 2aoc 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 / 1.30
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 57.802, 85.589, 46.461, 90.00, 90.00, 90.00
R / Rfree (%) 12.3 / 16.6

Other elements in 2aoc:

The structure of Crystal Structure Analysis of Hiv-1 Protease Mutant I84V with A Substrate Analog P2-Nc 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 I84V with A Substrate Analog P2-Nc (pdb code 2aoc). 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 I84V with A Substrate Analog P2-Nc, PDB code: 2aoc:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 2aoc

Go back to Chlorine Binding Sites List in 2aoc
Chlorine binding site 1 out of 3 in the Crystal Structure Analysis of Hiv-1 Protease Mutant I84V with A Substrate Analog P2-Nc


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 I84V with A Substrate Analog P2-Nc within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:15.2
occ:0.75
 O A:HOH1132 2.9 33.2 1.0
N A:THR74 3.2 8.5 1.0
ND2 A:ASN88 3.2 9.8 1.0
OG1 A:THR74 3.7 12.0 1.0
CA A:GLY73 3.7 9.5 1.0
CB A:THR74 3.8 9.6 1.0
CB A:ASN88 3.8 8.5 1.0
C A:GLY73 4.0 8.6 1.0
CG A:ASN88 4.0 9.2 1.0
CA A:THR74 4.1 8.7 1.0
O A:HOH1165 4.3 39.1 1.0
O A:HOH1045 4.3 16.8 1.0
O A:HOH1110 4.4 31.6 1.0
O A:ASN88 4.6 9.2 1.0
O A:THR74 4.7 9.3 1.0
CA A:ASN88 4.8 7.7 1.0
C A:THR74 4.9 8.2 1.0
C A:ASN88 5.0 7.1 1.0

Chlorine binding site 2 out of 3 in 2aoc

Go back to Chlorine Binding Sites List in 2aoc
Chlorine binding site 2 out of 3 in the Crystal Structure Analysis of Hiv-1 Protease Mutant I84V with A Substrate Analog P2-Nc


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 I84V with A Substrate Analog P2-Nc within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:11.3
occ:1.00
 O B:HOH1061 3.2 21.1 1.0
O A:HOH1005 3.3 9.9 1.0
NE1 B:TRP106 3.3 8.7 1.0
CZ2 B:TRP106 3.9 8.3 1.0
CE2 B:TRP106 3.9 8.3 1.0
CG2 B:THR104 4.2 14.0 1.0
CD1 B:TRP106 4.5 8.7 1.0
CB B:THR104 4.8 9.8 1.0
O B:HOH1144 4.8 20.0 0.5

Chlorine binding site 3 out of 3 in 2aoc

Go back to Chlorine Binding Sites List in 2aoc
Chlorine binding site 3 out of 3 in the Crystal Structure Analysis of Hiv-1 Protease Mutant I84V with A Substrate Analog P2-Nc


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 I84V with A Substrate Analog P2-Nc within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:10.9
occ:0.75
 O B:HOH1013 2.9 11.8 1.0
N B:THR174 3.1 7.0 1.0
ND2 B:ASN188 3.2 8.0 1.0
OG1 B:THR174 3.7 11.1 1.0
CA B:GLY173 3.7 6.6 1.0
CB B:THR174 3.8 8.0 1.0
CB B:ASN188 3.9 7.8 1.0
C B:GLY173 3.9 6.8 1.0
CG B:ASN188 4.0 8.0 1.0
CA B:THR174 4.0 7.7 1.0
O B:HOH1011 4.2 11.0 1.0
NE2 B:GLN192 4.3 8.6 1.0
O B:ASN188 4.5 9.6 1.0
CD2 B:LEU189 4.5 12.3 1.0
O B:THR174 4.7 7.7 1.0
O B:HOH1052 4.7 21.7 1.0
C B:ASN188 4.8 7.1 1.0
CA B:ASN188 4.8 7.1 1.0
C B:THR174 4.9 7.0 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 Jul 20 05:18:45 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy