Atomistry » Chlorine » PDB 2kug-2nwh » 2ntr
Atomistry »
  Chlorine »
    PDB 2kug-2nwh »
      2ntr »

Chlorine in PDB 2ntr: Crystal Structure of Human Bace-1 Bound to Inhibitor

Enzymatic activity of Crystal Structure of Human Bace-1 Bound to Inhibitor

All present enzymatic activity of Crystal Structure of Human Bace-1 Bound to Inhibitor:
3.4.23.46;

Protein crystallography data

The structure of Crystal Structure of Human Bace-1 Bound to Inhibitor, PDB code: 2ntr was solved by S.Munshi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 1.80
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 103.922, 128.176, 76.461, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Bace-1 Bound to Inhibitor (pdb code 2ntr). 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 Crystal Structure of Human Bace-1 Bound to Inhibitor, PDB code: 2ntr:

Chlorine binding site 1 out of 1 in 2ntr

Go back to Chlorine Binding Sites List in 2ntr
Chlorine binding site 1 out of 1 in the Crystal Structure of Human Bace-1 Bound to Inhibitor


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 Human Bace-1 Bound to Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:30.4
occ:1.00
CL A:L00401 0.0 30.4 1.0
C12 A:L00401 1.7 21.5 1.0
C13 A:L00401 2.7 22.7 1.0
C11 A:L00401 2.7 20.3 1.0
N2 A:L00401 3.0 24.2 1.0
O A:HOH438 3.0 24.4 1.0
C29 A:L00401 3.2 18.0 1.0
N4 A:L00401 3.2 18.3 1.0
C16 A:L00401 3.3 25.1 1.0
CG2 A:THR72 3.6 24.1 1.0
NH1 A:ARG235 3.6 21.3 1.0
CZ A:ARG235 3.8 21.6 1.0
CB A:THR72 3.9 24.0 1.0
CD A:ARG235 3.9 17.7 1.0
NE A:ARG235 3.9 20.5 1.0
N1 A:L00401 3.9 20.1 1.0
C10 A:L00401 4.0 17.9 1.0
CG2 A:THR231 4.2 18.5 1.0
OG1 A:THR231 4.2 20.1 1.0
S1 A:L00401 4.3 24.9 1.0
O4 A:L00401 4.4 17.6 1.0
N3 A:L00401 4.4 19.6 1.0
O2 A:L00401 4.5 23.6 1.0
C9 A:L00401 4.5 20.4 1.0
NH2 A:ARG235 4.5 20.1 1.0
CB A:GLN73 4.5 22.1 1.0
O3 A:L00401 4.7 24.0 1.0
OG1 A:THR72 4.7 23.3 1.0
N A:GLN73 4.8 22.3 1.0
CB A:THR231 4.9 18.7 1.0
C A:THR72 4.9 22.8 1.0
C30 A:L00401 4.9 18.2 1.0

Reference:

G.B.Mcgaughey, D.Colussi, S.L.Graham, M.T.Lai, S.K.Munshi, P.G.Nantermet, B.Pietrak, H.A.Rajapakse, H.G.Selnick, S.R.Stauffer, M.K.Holloway. Beta-Secretase (Bace-1) Inhibitors: Accounting For 10S Loop Flexibility Using Rigid Active Sites. Bioorg.Med.Chem.Lett. V. 17 1117 2007.
ISSN: ISSN 0960-894X
PubMed: 17112725
DOI: 10.1016/J.BMCL.2006.11.003
Page generated: Thu Jul 10 23:20:07 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