Atomistry » Chlorine » PDB 1e3a-1exv » 1ep4
Atomistry »
  Chlorine »
    PDB 1e3a-1exv »
      1ep4 »

Chlorine in PDB 1ep4: Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with S- 1153

Enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with S- 1153

All present enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with S- 1153:
2.7.7.49;

Protein crystallography data

The structure of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with S- 1153, PDB code: 1ep4 was solved by J.Ren, C.Nichols, L.E.Bird, T.Fujiwara, H.Suginoto, D.I.Stuart, D.K.Stammers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 135.700, 118.000, 67.300, 90.00, 90.00, 90.00
R / Rfree (%) 25.4 / 33

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with S- 1153 (pdb code 1ep4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with S- 1153, PDB code: 1ep4:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 1ep4

Go back to Chlorine Binding Sites List in 1ep4
Chlorine binding site 1 out of 2 in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with S- 1153


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with S- 1153 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl999

b:69.5
occ:1.00
CL1 A:S11999 0.0 69.5 1.0
C8 A:S11999 1.7 59.7 1.0
C7 A:S11999 2.7 54.0 1.0
C9 A:S11999 2.7 58.0 1.0
CD1 A:TRP229 3.7 53.8 1.0
CZ A:TYR188 3.8 55.7 1.0
CE1 A:TYR188 3.8 52.9 1.0
CB A:TRP229 3.8 60.5 1.0
CG A:TRP229 3.9 56.5 1.0
OH A:TYR188 3.9 56.2 1.0
C6 A:S11999 4.0 49.0 1.0
C10 A:S11999 4.1 55.9 1.0
CB A:PHE227 4.2 61.1 1.0
CD1 A:TYR183 4.4 80.9 1.0
CE2 A:TYR188 4.4 57.9 1.0
CD1 A:TYR188 4.4 54.8 1.0
NE1 A:TRP229 4.5 55.3 1.0
C11 A:S11999 4.6 53.2 1.0
O A:LEU228 4.6 68.3 1.0
CG A:PHE227 4.8 58.0 1.0
CD2 A:TRP229 4.8 56.5 1.0
CE1 A:TYR181 4.9 53.2 1.0
CD2 A:LEU234 4.9 56.9 1.0
CA A:TRP229 4.9 62.9 1.0
CD2 A:TYR188 5.0 59.0 1.0
CE1 A:TYR183 5.0 82.4 1.0
CG A:TYR188 5.0 55.1 1.0

Chlorine binding site 2 out of 2 in 1ep4

Go back to Chlorine Binding Sites List in 1ep4
Chlorine binding site 2 out of 2 in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with S- 1153


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with S- 1153 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl999

b:58.9
occ:1.00
CL2 A:S11999 0.0 58.9 1.0
C10 A:S11999 1.7 55.9 1.0
C9 A:S11999 2.7 58.0 1.0
C11 A:S11999 2.8 53.2 1.0
CE1 A:TYR181 3.8 53.2 1.0
CD1 A:LEU100 3.8 37.6 1.0
CZ2 A:TRP229 3.8 59.6 1.0
CH2 A:TRP229 3.9 59.1 1.0
CD2 A:LEU100 3.9 41.8 1.0
CD1 A:TYR181 4.0 54.7 1.0
CE2 A:TRP229 4.0 58.3 1.0
C8 A:S11999 4.0 59.7 1.0
CZ A:TYR181 4.1 55.2 1.0
C6 A:S11999 4.1 49.0 1.0
CZ3 A:TRP229 4.2 57.2 1.0
CG A:LEU100 4.3 40.1 1.0
CD2 A:TRP229 4.3 56.5 1.0
CE3 A:TRP229 4.4 54.9 1.0
CG A:TYR181 4.4 54.2 1.0
CE2 A:TYR181 4.5 58.3 1.0
C7 A:S11999 4.6 54.0 1.0
NE1 A:TRP229 4.6 55.3 1.0
OH A:TYR181 4.6 55.8 1.0
CD2 A:LEU234 4.6 56.9 1.0
CD2 A:TYR181 4.7 55.8 1.0
CG A:PRO95 5.0 66.7 1.0

Reference:

J.Ren, C.Nichols, L.E.Bird, T.Fujiwara, H.Sugimoto, D.I.Stuart, D.K.Stammers. Binding of the Second Generation Non-Nucleoside Inhibitor S-1153 to Hiv-1 Reverse Transcriptase Involves Extensive Main Chain Hydrogen Bonding. J.Biol.Chem. V. 275 14316 2000.
ISSN: ISSN 0021-9258
PubMed: 10799511
DOI: 10.1074/JBC.275.19.14316
Page generated: Thu Jul 10 16:48:20 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy