Atomistry » Chlorine » PDB 3smb-3st5 » 3snl
Atomistry »
  Chlorine »
    PDB 3smb-3st5 »
      3snl »

Chlorine in PDB 3snl: Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors

Enzymatic activity of Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors

All present enzymatic activity of Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors:
3.1.4.17; 3.1.4.35;

Protein crystallography data

The structure of Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors, PDB code: 3snl was solved by M.S.Malamas, Y.Ni, J.Erdei, H.Stange, R.Schindler, H.-J.Lankau, C.Grunwald, K.Y.Fan, K.D.Parris, B.Langen, U.Egerland, T.Hage, K.L.Marquis, S.Grauer, J.Brennan, R.Navarra, R.Graf, B.L.Harrison, A.Robichaud, T.Kronbach, M.Pangalos, N.Hofgen, N.J.Brandon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.81 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 50.445, 80.945, 157.789, 90.00, 90.00, 90.00
R / Rfree (%) 23.5 / 31.7

Other elements in 3snl:

The structure of Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors also contains other interesting chemical elements:

Fluorine (F) 3 atoms
Magnesium (Mg) 2 atoms
Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors (pdb code 3snl). 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 Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors, PDB code: 3snl:

Chlorine binding site 1 out of 1 in 3snl

Go back to Chlorine Binding Sites List in 3snl
Chlorine binding site 1 out of 1 in the Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1

b:60.0
occ:1.00
 CL1 B:5481 0.0 60.0 1.0
C14 B:5481 1.7 62.3 1.0
C13 B:5481 2.7 62.6 1.0
C15 B:5481 2.7 62.1 1.0
N4 B:5481 3.0 62.0 1.0
NE2 B:GLN716 3.2 47.5 1.0
OH B:TYR683 3.5 73.3 1.0
CE1 B:TYR683 3.8 73.2 1.0
CZ B:TYR683 4.0 73.5 1.0
O B:GLY715 4.0 51.9 1.0
CB B:PHE719 4.0 37.7 1.0
C12 B:5481 4.0 64.7 1.0
C10 B:5481 4.0 62.4 1.0
CG B:PHE719 4.2 36.0 1.0
C16 B:5481 4.3 62.3 1.0
C B:GLY715 4.3 52.1 1.0
CD B:GLN716 4.5 48.5 1.0
CD1 B:PHE719 4.5 35.0 1.0
C11 B:5481 4.5 63.1 1.0
N B:GLN716 4.6 50.7 1.0
CE2 B:PHE686 4.7 72.7 1.0
CA B:GLN716 4.7 49.3 1.0
CD2 B:PHE719 4.8 31.5 1.0
SD B:MET703 4.8 91.7 1.0
CD1 B:TYR683 5.0 72.3 1.0

Reference:

M.S.Malamas, Y.Ni, J.Erdei, H.Stange, R.Schindler, H.J.Lankau, C.Grunwald, K.Y.Fan, K.Parris, B.Langen, U.Egerland, T.Hage, K.L.Marquis, S.Grauer, J.Brennan, R.Navarra, R.Graf, B.L.Harrison, A.Robichaud, T.Kronbach, M.N.Pangalos, N.Hoefgen, N.J.Brandon. Highly Potent, Selective, and Orally Active Phosphodiesterase 10A Inhibitors. J.Med.Chem. V. 54 7621 2011.
ISSN: ISSN 0022-2623
PubMed: 21988093
DOI: 10.1021/JM2009138
Page generated: Sat Dec 12 10:10:30 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy