Atomistry » Chlorine » PDB 3zot-3zx2 » 3zsz
Atomistry »
  Chlorine »
    PDB 3zot-3zx2 »
      3zsz »

Chlorine in PDB 3zsz: Small Molecule Inhibitors of the Ledgf Site of Hiv Type 1 Integrase Identified By Fragment Screening and Structure Based Drug Design

Protein crystallography data

The structure of Small Molecule Inhibitors of the Ledgf Site of Hiv Type 1 Integrase Identified By Fragment Screening and Structure Based Drug Design, PDB code: 3zsz was solved by T.S.Peat, J.Newman, D.I.Rhodes, N.Vandergraaff, G.Le, E.D.Jones, J.A.Smith, J.A.V.Coates, N.Thienthong, O.Dolezal, J.H.Ryan, G.P.Savage, C.L.Francis, J.J.Deadman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.48 / 2.00
Space group P 31
Cell size a, b, c (Å), α, β, γ (°) 71.475, 71.475, 66.453, 90.00, 90.00, 120.00
R / Rfree (%) 18.657 / 22.221

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Small Molecule Inhibitors of the Ledgf Site of Hiv Type 1 Integrase Identified By Fragment Screening and Structure Based Drug Design (pdb code 3zsz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Small Molecule Inhibitors of the Ledgf Site of Hiv Type 1 Integrase Identified By Fragment Screening and Structure Based Drug Design, PDB code: 3zsz:

Chlorine binding site 1 out of 1 in 3zsz

Go back to Chlorine Binding Sites List in 3zsz
Chlorine binding site 1 out of 1 in the Small Molecule Inhibitors of the Ledgf Site of Hiv Type 1 Integrase Identified By Fragment Screening and Structure Based Drug Design


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Small Molecule Inhibitors of the Ledgf Site of Hiv Type 1 Integrase Identified By Fragment Screening and Structure Based Drug Design within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1217

b:58.0
occ:1.00
CE B:MET178 3.3 21.3 1.0
O A:HOH2032 3.6 29.1 1.0
O B:GLN168 4.2 24.7 1.0
O B:HOH2045 4.2 36.3 1.0
CB A:TRP132 4.2 17.7 1.0
CA A:ALA129 4.4 17.6 1.0
CG A:TRP132 4.4 17.0 1.0
C20 B:OM21216 4.5 30.9 1.0
O A:ALA128 4.5 18.9 1.0
CD1 A:TRP132 4.6 15.9 1.0
N A:ALA129 4.6 18.1 1.0
C A:ALA128 4.6 18.7 1.0
CB A:ALA129 4.8 18.7 1.0
CG2 B:THR174 4.9 18.3 1.0

Reference:

T.S.Peat, D.I.Rhodes, N.Vandegraaff, G.Le, J.A.Smith, L.J.Clark, E.D.Jones, J.A.V.Coates, N.Thienthong, J.Newman, O.Dolezal, R.Mulder, J.H.Ryan, G.P.Savage, C.L.Francis, J.J.Deadman. Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified By Fragment Screening and Structure Based Design. Plos One V. 7 40147 2012.
ISSN: ISSN 1932-6203
PubMed: 22808106
DOI: 10.1371/JOURNAL.PONE.0040147
Page generated: Sun Jul 21 08:29:20 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy