Atomistry » Bromine » PDB 1uhj-1z5m » 1xl5
Atomistry »
  Bromine »
    PDB 1uhj-1z5m »
      1xl5 »

Bromine in PDB 1xl5: Hiv-1 Protease in Complex with Amidhyroxysulfone

Enzymatic activity of Hiv-1 Protease in Complex with Amidhyroxysulfone

All present enzymatic activity of Hiv-1 Protease in Complex with Amidhyroxysulfone:
3.4.23.16;

Protein crystallography data

The structure of Hiv-1 Protease in Complex with Amidhyroxysulfone, PDB code: 1xl5 was solved by J.Boettcher, E.Specker, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 1.73
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 57.900, 85.800, 46.800, 90.00, 90.00, 90.00
R / Rfree (%) 20.1 / 24.7

Other elements in 1xl5:

The structure of Hiv-1 Protease in Complex with Amidhyroxysulfone also contains other interesting chemical elements:

Fluorine (F) 1 atom
Chlorine (Cl) 3 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Hiv-1 Protease in Complex with Amidhyroxysulfone (pdb code 1xl5). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Hiv-1 Protease in Complex with Amidhyroxysulfone, PDB code: 1xl5:

Bromine binding site 1 out of 1 in 1xl5

Go back to Bromine Binding Sites List in 1xl5
Bromine binding site 1 out of 1 in the Hiv-1 Protease in Complex with Amidhyroxysulfone


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Hiv-1 Protease in Complex with Amidhyroxysulfone within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1001

b:62.4
occ:1.00
BR17 B:1901001 0.0 62.4 1.0
C45 B:1901001 1.9 21.2 1.0
C46 B:1901001 2.8 13.0 1.0
C44 B:1901001 2.9 15.4 1.0
NH1 A:ARG8 3.6 28.7 1.0
O B:HOH2627 3.6 17.5 1.0
CZ A:ARG8 3.7 31.8 1.0
NH2 A:ARG8 3.9 28.1 1.0
C7 B:1901001 3.9 19.8 1.0
CG1 A:VAL82 4.0 17.2 1.0
C15 B:1901001 4.1 16.3 1.0
C43 B:1901001 4.2 16.4 1.0
NE A:ARG8 4.3 16.8 1.0
CD2 A:LEU23 4.4 12.1 1.0
CB A:VAL82 4.5 17.6 1.0
C42 B:1901001 4.7 10.6 1.0
O B:GLY27 4.7 11.5 1.0
CD A:ARG8 4.9 9.3 1.0
CG2 A:VAL82 4.9 23.1 1.0

Reference:

E.Specker, J.Boettcher, H.Lilie, A.Heine, A.Schoop, G.Muller, N.Griebenow, G.Klebe. An Old Target Revisited: Two New Privileged Skeletons and An Unexpected Binding Mode For Hiv-Protease Inhibitors Angew.Chem.Int.Ed.Engl. V. 44 3140 2005.
ISSN: ESSN 0570-0833
PubMed: 15822136
DOI: 10.1002/ANIE.200462643
Page generated: Mon Jul 7 03:53:47 2025

Last articles

Ca in 3B0O
Ca in 3B0K
Ca in 3B01
Ca in 3B00
Ca in 3AZZ
Ca in 3B0I
Ca in 3AZY
Ca in 3AYU
Ca in 3AZX
Ca in 3AXD
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy