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Chlorine in PDB 2y05: Crystal Structure of Human Leukotriene B4 12-Hydroxydehydrogenase in Complex with Nadp and Raloxifene

Enzymatic activity of Crystal Structure of Human Leukotriene B4 12-Hydroxydehydrogenase in Complex with Nadp and Raloxifene

All present enzymatic activity of Crystal Structure of Human Leukotriene B4 12-Hydroxydehydrogenase in Complex with Nadp and Raloxifene:
1.3.1.48; 1.3.1.74;

Protein crystallography data

The structure of Crystal Structure of Human Leukotriene B4 12-Hydroxydehydrogenase in Complex with Nadp and Raloxifene, PDB code: 2y05 was solved by W.W.Yue, N.Shafqat, T.Krojer, A.C.W.Pike, F.Von Delft, R.Sethi, P.Savitsky, C.Johansson, C.Arrowsmith, J.Weigelt, A.Edwards, C.Bountra, U.Oppermann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 59.55 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 93.274, 116.599, 154.607, 90.00, 90.00, 90.00
R / Rfree (%) 19.4 / 23.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Leukotriene B4 12-Hydroxydehydrogenase in Complex with Nadp and Raloxifene (pdb code 2y05). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Human Leukotriene B4 12-Hydroxydehydrogenase in Complex with Nadp and Raloxifene, PDB code: 2y05:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 2y05

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Chlorine binding site 1 out of 5 in the Crystal Structure of Human Leukotriene B4 12-Hydroxydehydrogenase in Complex with Nadp and Raloxifene


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 Leukotriene B4 12-Hydroxydehydrogenase in Complex with Nadp and Raloxifene within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1330

b:62.7
occ:1.00
 OG A:SER88 2.9 25.5 1.0
N A:SER88 3.6 23.7 1.0
C A:ALA87 3.6 24.2 1.0
CA A:ALA87 3.6 24.0 1.0
NE2 A:GLN66 3.7 18.2 1.0
O A:LEU86 3.7 25.2 1.0
N A:ALA87 3.8 24.1 1.0
CB A:SER88 3.8 24.6 1.0
O A:ASP101 3.9 39.8 1.0
C A:LEU86 3.9 24.7 1.0
C29 A:RAL801 4.1 52.0 1.0
CG A:GLN66 4.3 22.4 1.0
O A:ALA87 4.3 24.0 1.0
CA A:SER88 4.3 24.0 1.0
C30 A:RAL801 4.5 49.9 1.0
CD A:GLN66 4.5 19.3 1.0
CB A:LEU86 4.6 24.7 1.0
CA A:LEU86 4.9 25.4 1.0

Chlorine binding site 2 out of 5 in 2y05

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Chlorine binding site 2 out of 5 in the Crystal Structure of Human Leukotriene B4 12-Hydroxydehydrogenase in Complex with Nadp and Raloxifene


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human Leukotriene B4 12-Hydroxydehydrogenase in Complex with Nadp and Raloxifene within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1333

b:64.6
occ:1.00
 O11 A:RAL801 3.5 28.9 1.0
C12 A:RAL801 4.0 23.6 1.0
C11 A:RAL801 4.1 26.3 1.0
CB B:ALA78 4.5 28.3 1.0

Chlorine binding site 3 out of 5 in 2y05

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Chlorine binding site 3 out of 5 in the Crystal Structure of Human Leukotriene B4 12-Hydroxydehydrogenase in Complex with Nadp and Raloxifene


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human Leukotriene B4 12-Hydroxydehydrogenase in Complex with Nadp and Raloxifene within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1330

b:34.6
occ:1.00
 NZ B:LYS100 2.9 52.7 1.0
CE B:LYS100 3.6 54.5 1.0
C25 A:RAL802 3.9 77.2 1.0
C31 A:RAL802 3.9 84.8 1.0
C27 A:RAL802 4.0 86.3 1.0
N26 A:RAL802 4.3 83.3 1.0
C29 A:RAL802 4.4 86.1 1.0
CD B:LYS100 4.5 49.6 1.0
C30 A:RAL802 4.7 85.0 1.0
C28 A:RAL802 4.7 87.6 1.0

Chlorine binding site 4 out of 5 in 2y05

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Chlorine binding site 4 out of 5 in the Crystal Structure of Human Leukotriene B4 12-Hydroxydehydrogenase in Complex with Nadp and Raloxifene


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Human Leukotriene B4 12-Hydroxydehydrogenase in Complex with Nadp and Raloxifene within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1331

b:64.5
occ:1.00
 NZ B:LYS289 3.2 36.8 1.0
NE1 B:TRP290 3.7 30.6 1.0
CE B:LYS289 4.4 43.5 1.0
CE2 B:TRP290 4.5 27.4 1.0
CZ2 B:TRP290 4.5 27.8 1.0
NZ B:LYS295 4.5 51.5 1.0
CD1 B:TRP290 4.8 25.5 1.0

Chlorine binding site 5 out of 5 in 2y05

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Chlorine binding site 5 out of 5 in the Crystal Structure of Human Leukotriene B4 12-Hydroxydehydrogenase in Complex with Nadp and Raloxifene


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Human Leukotriene B4 12-Hydroxydehydrogenase in Complex with Nadp and Raloxifene within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1333

b:59.5
occ:1.00
 N C:GLU59 3.6 30.8 1.0
CA C:LYS58 4.0 32.5 1.0
CG C:GLU59 4.0 38.2 1.0
C C:LYS58 4.3 30.6 1.0
CB C:GLU59 4.3 32.6 1.0
NE2 C:HIS12 4.3 28.4 1.0
CB C:LYS58 4.4 33.9 1.0
CD C:GLU59 4.4 49.2 1.0
CA C:GLU59 4.6 30.9 1.0
CG C:LYS58 4.6 37.3 1.0
CD2 C:HIS12 4.7 24.9 1.0
O C:HOH2017 4.7 37.4 1.0
OE2 C:GLU59 4.7 52.1 1.0
O C:LEU57 4.8 30.9 1.0
OE1 C:GLU59 5.0 49.1 1.0

Reference:

W.W.Yue, N.Shafqat, T.Krojer, A.C.W.Pike, F.Von Delft, R.Sethi, P.Savitsky, C.Johansson, C.Arrowsmith, J.Weigelt, A.Edwards, C.Bountra, U.Oppermann. Crystal Structure of Human Leukotriene B4 12-Hydroxydehydrogenase in Complex with Nadp and Raloxifene To Be Published.
Page generated: Sat Jul 20 14:20:56 2024

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