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Chlorine in PDB 2bel: Structure of Human 11-Beta-Hydroxysteroid Dehydrogenase in Complex with Nadp and Carbenoxolone

Enzymatic activity of Structure of Human 11-Beta-Hydroxysteroid Dehydrogenase in Complex with Nadp and Carbenoxolone

All present enzymatic activity of Structure of Human 11-Beta-Hydroxysteroid Dehydrogenase in Complex with Nadp and Carbenoxolone:
1.1.1.146;

Protein crystallography data

The structure of Structure of Human 11-Beta-Hydroxysteroid Dehydrogenase in Complex with Nadp and Carbenoxolone, PDB code: 2bel was solved by K.Kavanagh, X.Wu, S.Svensson, B.Elleby, F.Von Delft, J.E.Debreczeni, S.Sharma, J.Bray, A.Edwards, C.Arrowsmith, M.Sundstrom, L.Abrahmsen, U.Oppermann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 56.52 / 2.11
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 160.162, 112.984, 66.326, 90.00, 90.00, 90.00
R / Rfree (%) 18.8 / 24.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Human 11-Beta-Hydroxysteroid Dehydrogenase in Complex with Nadp and Carbenoxolone (pdb code 2bel). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of Human 11-Beta-Hydroxysteroid Dehydrogenase in Complex with Nadp and Carbenoxolone, PDB code: 2bel:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 2bel

Go back to Chlorine Binding Sites List in 2bel
Chlorine binding site 1 out of 4 in the Structure of Human 11-Beta-Hydroxysteroid Dehydrogenase in Complex with Nadp and Carbenoxolone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Human 11-Beta-Hydroxysteroid Dehydrogenase in Complex with Nadp and Carbenoxolone within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1271

b:44.7
occ:1.00
 NZ A:LYS238 2.9 42.1 1.0
O A:HOH2049 3.0 28.3 1.0
N A:GLY45 3.4 40.9 1.0
CA A:GLY45 3.4 41.2 1.0
N A:GLU221 3.5 40.5 1.0
CA A:THR220 3.9 39.6 1.0
CB A:THR220 3.9 39.5 1.0
CE A:LYS238 4.0 44.2 1.0
NH2 A:ARG48 4.0 64.2 1.0
CD A:LYS238 4.1 40.1 1.0
C A:THR220 4.2 39.6 1.0
CB A:GLU221 4.3 40.3 1.0
O A:HOH2003 4.3 37.9 1.0
CG2 A:THR220 4.4 34.5 1.0
CA A:GLU221 4.5 41.1 1.0
C A:LYS44 4.7 42.1 1.0
C A:GLY45 4.7 38.3 1.0
CB A:LYS44 4.7 42.7 1.0
O2A A:NAP1269 4.7 43.9 1.0
O A:HOH2040 5.0 45.3 1.0

Chlorine binding site 2 out of 4 in 2bel

Go back to Chlorine Binding Sites List in 2bel
Chlorine binding site 2 out of 4 in the Structure of Human 11-Beta-Hydroxysteroid Dehydrogenase in Complex with Nadp and Carbenoxolone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Human 11-Beta-Hydroxysteroid Dehydrogenase in Complex with Nadp and Carbenoxolone within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1280

b:31.0
occ:1.00
 O B:HOH2075 3.2 34.0 1.0
N B:GLU221 3.3 38.8 1.0
N B:GLY45 3.3 43.8 1.0
CA B:GLY45 3.4 41.2 1.0
NZ B:LYS238 3.7 40.3 1.0
NH2 B:ARG48 3.7 47.1 1.0
CA B:THR220 3.7 36.5 1.0
CB B:THR220 3.8 36.1 1.0
O B:HOH2001 4.0 32.0 1.0
C B:THR220 4.0 38.1 1.0
O B:HOH2060 4.1 43.3 1.0
CB B:GLU221 4.2 38.6 1.0
CA B:GLU221 4.3 37.4 1.0
CD B:LYS238 4.3 39.4 1.0
CG2 B:THR220 4.4 38.3 1.0
CE B:LYS238 4.4 37.5 1.0
CB B:LYS44 4.5 40.0 1.0
C B:LYS44 4.6 40.1 1.0
C B:GLY45 4.6 38.4 1.0
O2A B:NAP1278 4.6 39.6 1.0
CZ B:ARG48 4.9 43.0 1.0
O B:GLY45 5.0 36.4 1.0

Chlorine binding site 3 out of 4 in 2bel

Go back to Chlorine Binding Sites List in 2bel
Chlorine binding site 3 out of 4 in the Structure of Human 11-Beta-Hydroxysteroid Dehydrogenase in Complex with Nadp and Carbenoxolone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Human 11-Beta-Hydroxysteroid Dehydrogenase in Complex with Nadp and Carbenoxolone within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1274

b:55.5
occ:1.00
 NZ C:LYS238 3.1 43.0 1.0
N C:GLY45 3.3 34.0 1.0
N C:GLU221 3.4 38.0 1.0
O C:HOH2053 3.4 46.0 1.0
CA C:GLY45 3.4 34.8 1.0
CA C:THR220 3.9 38.8 1.0
CB C:THR220 3.9 36.3 1.0
NH2 C:ARG48 4.1 44.2 1.0
CB C:GLU221 4.1 39.5 1.0
C C:THR220 4.1 37.6 1.0
CD C:LYS238 4.1 35.1 1.0
CE C:LYS238 4.2 38.3 1.0
CA C:GLU221 4.3 37.3 1.0
C C:LYS44 4.6 35.1 1.0
CG2 C:THR220 4.6 40.2 1.0
CB C:LYS44 4.6 38.8 1.0
C C:GLY45 4.7 35.8 1.0
O2A C:NAP1272 4.7 39.5 1.0

Chlorine binding site 4 out of 4 in 2bel

Go back to Chlorine Binding Sites List in 2bel
Chlorine binding site 4 out of 4 in the Structure of Human 11-Beta-Hydroxysteroid Dehydrogenase in Complex with Nadp and Carbenoxolone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Human 11-Beta-Hydroxysteroid Dehydrogenase in Complex with Nadp and Carbenoxolone within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1280

b:34.7
occ:1.00
 O D:HOH2080 3.1 28.9 1.0
N D:GLU221 3.3 38.5 1.0
NZ D:LYS238 3.3 49.7 1.0
N D:GLY45 3.4 35.1 1.0
CA D:GLY45 3.5 35.1 1.0
O D:HOH2066 3.7 41.4 1.0
CA D:THR220 3.8 36.6 1.0
NH2 D:ARG48 3.9 50.6 1.0
CB D:THR220 4.0 36.8 1.0
CB D:GLU221 4.0 36.5 1.0
C D:THR220 4.0 37.3 1.0
CA D:GLU221 4.2 38.0 1.0
O D:HOH2008 4.3 38.1 1.0
CD D:LYS238 4.4 38.0 1.0
CG2 D:THR220 4.5 31.9 1.0
CE D:LYS238 4.5 42.8 1.0
CB D:LYS44 4.6 37.8 1.0
C D:LYS44 4.7 33.7 1.0
O2A D:NAP1278 4.7 34.2 1.0
CG D:GLU221 4.8 45.2 1.0
C D:GLY45 4.8 32.5 1.0

Reference:

X.Wu, K.Kavanagh, S.Svensson, B.Elleby, M.Hult, F.Von Delft, B.Marsden, H.Jornvall, L.Abrahmsen, U.Oppermann. The High Resolution Structures of Human, Murine and Guinea Pig 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Reveal Critical Differences in Active Site Architecture To Be Published.
Page generated: Sat Jul 20 05:40:04 2024

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