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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: Sat Dec 12 10:25:58 2020

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