Atomistry » Chlorine » PDB 4he1-4hmr » 4hmn
Atomistry »
  Chlorine »
    PDB 4he1-4hmr »
      4hmn »

Chlorine in PDB 4hmn: Crystal Structure of Human 17BETA-Hydroxysteroid Dehydrogenase Type 5 in Complex with (4-(4-Chlorophenyl)Piperazin-1-Yl)(Morpholino) Methanone (24)

Enzymatic activity of Crystal Structure of Human 17BETA-Hydroxysteroid Dehydrogenase Type 5 in Complex with (4-(4-Chlorophenyl)Piperazin-1-Yl)(Morpholino) Methanone (24)

All present enzymatic activity of Crystal Structure of Human 17BETA-Hydroxysteroid Dehydrogenase Type 5 in Complex with (4-(4-Chlorophenyl)Piperazin-1-Yl)(Morpholino) Methanone (24):
1.1.1.112; 1.1.1.188; 1.1.1.213; 1.1.1.63; 1.1.1.64;

Protein crystallography data

The structure of Crystal Structure of Human 17BETA-Hydroxysteroid Dehydrogenase Type 5 in Complex with (4-(4-Chlorophenyl)Piperazin-1-Yl)(Morpholino) Methanone (24), PDB code: 4hmn was solved by A.P.Turnbull, J.U.Flanagan, G.J.Atwell, D.M.Heinrich, S.M.F.Jamieson, D.G.Brooke, S.Silva, L.J.M.Rigoreau, E.Trivier, C.Soudy, S.S.Samlal, P.J.Owen, E.Schroeder, T.Raynham, W.A.Denny, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 18.53 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.956, 64.068, 96.404, 90.00, 90.00, 90.00
R / Rfree (%) 21.9 / 29.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human 17BETA-Hydroxysteroid Dehydrogenase Type 5 in Complex with (4-(4-Chlorophenyl)Piperazin-1-Yl)(Morpholino) Methanone (24) (pdb code 4hmn). 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 17BETA-Hydroxysteroid Dehydrogenase Type 5 in Complex with (4-(4-Chlorophenyl)Piperazin-1-Yl)(Morpholino) Methanone (24), PDB code: 4hmn:

Chlorine binding site 1 out of 1 in 4hmn

Go back to Chlorine Binding Sites List in 4hmn
Chlorine binding site 1 out of 1 in the Crystal Structure of Human 17BETA-Hydroxysteroid Dehydrogenase Type 5 in Complex with (4-(4-Chlorophenyl)Piperazin-1-Yl)(Morpholino) Methanone (24)


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 17BETA-Hydroxysteroid Dehydrogenase Type 5 in Complex with (4-(4-Chlorophenyl)Piperazin-1-Yl)(Morpholino) Methanone (24) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:32.7
occ:1.00
 CLA A:16J402 0.0 32.7 1.0
CAQ A:16J402 1.7 32.7 1.0
CAD A:16J402 2.7 31.3 1.0
CAC A:16J402 2.7 29.6 1.0
CG A:PRO318 3.3 30.4 1.0
CE2 A:TYR319 3.6 29.1 1.0
CE A:MET120 3.8 27.1 1.0
CZ A:TYR319 3.9 27.7 1.0
CD A:PRO318 3.9 30.0 1.0
OH A:TYR319 3.9 26.0 1.0
OD1 A:ASN167 4.0 22.2 1.0
CAF A:16J402 4.0 30.9 1.0
CAE A:16J402 4.0 30.7 1.0
O A:HOH520 4.2 25.7 1.0
CD2 A:TYR319 4.3 29.2 1.0
CG A:ASN167 4.3 23.3 1.0
CB A:ASN167 4.4 23.5 1.0
CAR A:16J402 4.5 32.7 1.0
CB A:PRO318 4.7 31.8 1.0
O A:HOH513 4.7 23.3 1.0
CE1 A:TYR319 4.7 27.8 1.0
OH A:TYR216 4.8 23.7 1.0
CE1 A:TYR317 4.9 36.9 1.0
O A:ASN167 5.0 26.3 1.0

Reference:

J.U.Flanagan, G.J.Atwell, D.M.Heinrich, D.G.Brooke, S.Silva, L.J.Rigoreau, E.Trivier, A.P.Turnbull, T.Raynham, S.M.Jamieson, W.A.Denny. Morpholylureas Are A New Class of Potent and Selective Inhibitors of the Type 5 17-Beta-Hydroxysteroid Dehydrogenase (AKR1C3). Bioorg.Med.Chem. V. 22 967 2014.
ISSN: ISSN 0968-0896
PubMed: 24411201
DOI: 10.1016/J.BMC.2013.12.050
Page generated: Fri Jul 11 16:25:26 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