Atomistry » Chlorine » PDB 4b4j-4bbp » 4bb6
Atomistry »
  Chlorine »
    PDB 4b4j-4bbp »
      4bb6 »

Chlorine in PDB 4bb6: Free-Wilson and Structural Approaches to Co-Optimising Human and Rodent Isoform Potency For 11B-Hydroxysteroid Dehydrogenase Type 1 11B-HSD1 Inhibitors

Enzymatic activity of Free-Wilson and Structural Approaches to Co-Optimising Human and Rodent Isoform Potency For 11B-Hydroxysteroid Dehydrogenase Type 1 11B-HSD1 Inhibitors

All present enzymatic activity of Free-Wilson and Structural Approaches to Co-Optimising Human and Rodent Isoform Potency For 11B-Hydroxysteroid Dehydrogenase Type 1 11B-HSD1 Inhibitors:
1.1.1.146;

Protein crystallography data

The structure of Free-Wilson and Structural Approaches to Co-Optimising Human and Rodent Isoform Potency For 11B-Hydroxysteroid Dehydrogenase Type 1 11B-HSD1 Inhibitors, PDB code: 4bb6 was solved by F.W.Goldberg, A.G.Leach, J.S.Scott, W.L.Snelson, S.D.Groombridge, C.S.Donald, S.N.L.Bennett, C.Bodin, P.Morentin Gutierrez, A.C.Gyte, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 21.32 / 2.55
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 108.651, 108.651, 135.771, 90.00, 90.00, 120.00
R / Rfree (%) 23 / 27.648

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Free-Wilson and Structural Approaches to Co-Optimising Human and Rodent Isoform Potency For 11B-Hydroxysteroid Dehydrogenase Type 1 11B-HSD1 Inhibitors (pdb code 4bb6). 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 Free-Wilson and Structural Approaches to Co-Optimising Human and Rodent Isoform Potency For 11B-Hydroxysteroid Dehydrogenase Type 1 11B-HSD1 Inhibitors, PDB code: 4bb6:

Chlorine binding site 1 out of 1 in 4bb6

Go back to Chlorine Binding Sites List in 4bb6
Chlorine binding site 1 out of 1 in the Free-Wilson and Structural Approaches to Co-Optimising Human and Rodent Isoform Potency For 11B-Hydroxysteroid Dehydrogenase Type 1 11B-HSD1 Inhibitors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Free-Wilson and Structural Approaches to Co-Optimising Human and Rodent Isoform Potency For 11B-Hydroxysteroid Dehydrogenase Type 1 11B-HSD1 Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1294

b:57.5
occ:1.00
 N A:GLU221 3.2 58.6 1.0
CB A:GLU221 3.8 62.3 1.0
CA A:THR220 3.8 55.3 1.0
N A:GLY45 3.8 58.8 1.0
CE A:LYS238 3.8 61.9 1.0
CA A:GLY45 3.9 57.6 1.0
C A:THR220 4.0 57.1 1.0
CB A:THR220 4.0 54.0 1.0
CA A:GLU221 4.1 60.4 1.0
CD A:LYS238 4.2 59.7 1.0
NH2 A:ARG48 4.2 73.8 1.0
CG2 A:THR220 4.7 52.1 1.0
NZ A:LYS238 4.8 63.2 1.0
CD A:GLU221 4.8 74.9 1.0
CG A:GLU221 4.8 68.4 1.0
C A:GLY45 4.9 57.1 1.0
OE1 A:GLU221 4.9 76.1 1.0

Reference:

F.W.Goldberg, A.G.Leach, J.S.Scott, W.L.Snelson, S.D.Groombridge, C.S.Donald, S.N.L.Bennett, C.Bodin, P.Morentin Gutierrez, A.C.Gyte. Free-Wilson and Structural Approaches to Co- Optimising Human and Rodent Isoform Potency For 11BETA-Hydroxysteroid Dehydrogenase Type 1 (11BETA-HSD1) Inhibitors J.Med.Chem. V. 55 10652 2012.
ISSN: ISSN 0022-2623
PubMed: 23153367
DOI: 10.1021/JM3013163
Page generated: Sun Jul 21 09:55:14 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy