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Chlorine in PDB 2ilt: Human 11-Beta-Hydroxysteroid Dehydrogenase (HSD1) with Nadp and Adamantane Sulfone Inhibitor

Enzymatic activity of Human 11-Beta-Hydroxysteroid Dehydrogenase (HSD1) with Nadp and Adamantane Sulfone Inhibitor

All present enzymatic activity of Human 11-Beta-Hydroxysteroid Dehydrogenase (HSD1) with Nadp and Adamantane Sulfone Inhibitor:
1.1.1.146;

Protein crystallography data

The structure of Human 11-Beta-Hydroxysteroid Dehydrogenase (HSD1) with Nadp and Adamantane Sulfone Inhibitor, PDB code: 2ilt was solved by K.L.Longenecker, B.Sorensen, R.Judge, W.Qin, J.T.Link, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 87.71 / 2.30
Space group I 2 3
Cell size a, b, c (Å), α, β, γ (°) 123.871, 123.871, 123.871, 90.00, 90.00, 90.00
R / Rfree (%) 20.9 / 27.5

Other elements in 2ilt:

The structure of Human 11-Beta-Hydroxysteroid Dehydrogenase (HSD1) with Nadp and Adamantane Sulfone Inhibitor also contains other interesting chemical elements:

Fluorine (F) 1 atom
Nickel (Ni) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Human 11-Beta-Hydroxysteroid Dehydrogenase (HSD1) with Nadp and Adamantane Sulfone Inhibitor (pdb code 2ilt). 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 Human 11-Beta-Hydroxysteroid Dehydrogenase (HSD1) with Nadp and Adamantane Sulfone Inhibitor, PDB code: 2ilt:

Chlorine binding site 1 out of 1 in 2ilt

Go back to Chlorine Binding Sites List in 2ilt
Chlorine binding site 1 out of 1 in the Human 11-Beta-Hydroxysteroid Dehydrogenase (HSD1) with Nadp and Adamantane Sulfone Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human 11-Beta-Hydroxysteroid Dehydrogenase (HSD1) with Nadp and Adamantane Sulfone Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl902

b:71.8
occ:1.00
CL1 A:NN1902 0.0 71.8 1.0
C6 A:NN1902 1.7 71.6 1.0
C9 A:NN1902 2.7 71.7 1.0
C4 A:NN1902 2.7 70.8 1.0
O3 A:NN1902 3.0 69.7 1.0
C2 A:NN1902 3.8 68.4 1.0
C3 A:NN1902 3.9 67.4 1.0
O A:HOH926 3.9 29.4 1.0
C10 A:NN1902 4.0 71.5 1.0
CE2 A:TYR177 4.0 29.6 1.0
C7 A:NN1902 4.0 70.6 1.0
C1 A:NN1902 4.0 67.9 1.0
SD A:MET233 4.3 57.7 1.0
CZ A:TYR177 4.5 28.2 1.0
C8 A:NN1902 4.5 70.8 1.0
OH A:TYR177 4.5 27.8 1.0
CD2 A:TYR177 4.6 28.5 1.0
CE A:MET233 5.0 58.3 1.0

Reference:

B.Sorensen, M.Winn, J.Rohde, Q.Shuai, J.Wang, S.Fung, K.Monzon, W.Chiou, D.Stolarik, H.Imade, L.Pan, X.Deng, L.Chovan, K.Longenecker, R.Judge, W.Qin, M.Brune, H.Camp, E.U.Frevert, P.Jacobson, J.T.Link. Adamantane Sulfone and Sulfonamide 11-Beta-HSD1 Inhibitors. Bioorg.Med.Chem.Lett. V. 17 527 2007.
ISSN: ISSN 0960-894X
PubMed: 17070044
DOI: 10.1016/J.BMCL.2006.10.008
Page generated: Sat Dec 12 09:09:00 2020

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