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Chlorine in PDB 6dtp: Crystal Structure of Human 17BETA-Hydroxysteroid Dehydrogenase Type 1 Complexed with EM139

Enzymatic activity of Crystal Structure of Human 17BETA-Hydroxysteroid Dehydrogenase Type 1 Complexed with EM139

All present enzymatic activity of Crystal Structure of Human 17BETA-Hydroxysteroid Dehydrogenase Type 1 Complexed with EM139:
1.1.1.62;

Protein crystallography data

The structure of Crystal Structure of Human 17BETA-Hydroxysteroid Dehydrogenase Type 1 Complexed with EM139, PDB code: 6dtp was solved by T.Li, S.X.Lin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.67 / 2.00
Space group I 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 120.761, 42.188, 122.671, 90.00, 102.07, 90.00
R / Rfree (%) 19.1 / 23.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human 17BETA-Hydroxysteroid Dehydrogenase Type 1 Complexed with EM139 (pdb code 6dtp). 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 1 Complexed with EM139, PDB code: 6dtp:

Chlorine binding site 1 out of 1 in 6dtp

Go back to Chlorine Binding Sites List in 6dtp
Chlorine binding site 1 out of 1 in the Crystal Structure of Human 17BETA-Hydroxysteroid Dehydrogenase Type 1 Complexed with EM139


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 1 Complexed with EM139 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl408

b:0.6
occ:1.00
 CL A:EM9408 0.0 0.6 1.0
CAF A:EM9408 1.8 0.7 1.0
CAE A:EM9408 2.7 0.9 1.0
CAH A:EM9408 2.8 0.6 1.0
OAI A:EM9408 3.6 98.4 1.0
CAD A:EM9408 3.6 0.1 1.0
CAC A:EM9408 3.9 96.9 1.0
CZ A:PHE226 4.6 57.4 1.0
C9 A:EM9408 4.8 96.5 1.0
CE1 A:PHE226 4.8 56.1 1.0

Reference:

T.Li, D.Zhu, F.Labrie, S.X.Lin. Crystal Structure of Human 17BETA-Hydroxysteroid Dehydrogenase Type 1 Complexed with Dual-Site Inhibitor Em-139 Health 2018.
ISSN: ESSN 949-5005
DOI: 10.4236/HEALTH.2018.108081
Page generated: Sat Jul 27 21:48:53 2024

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