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Chlorine in PDB 3fh7: Leukotriene A4 Hydrolase Complexed with Inhibitor 4-[(2S)-2-{[4-(4- Chlorophenoxy)Phenoxy]Methyl}Pyrrolidin-1-Yl]Butanoate.

Enzymatic activity of Leukotriene A4 Hydrolase Complexed with Inhibitor 4-[(2S)-2-{[4-(4- Chlorophenoxy)Phenoxy]Methyl}Pyrrolidin-1-Yl]Butanoate.

All present enzymatic activity of Leukotriene A4 Hydrolase Complexed with Inhibitor 4-[(2S)-2-{[4-(4- Chlorophenoxy)Phenoxy]Methyl}Pyrrolidin-1-Yl]Butanoate.:
3.3.2.6;

Protein crystallography data

The structure of Leukotriene A4 Hydrolase Complexed with Inhibitor 4-[(2S)-2-{[4-(4- Chlorophenoxy)Phenoxy]Methyl}Pyrrolidin-1-Yl]Butanoate., PDB code: 3fh7 was solved by B.Mamat, D.R.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.05
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 77.819, 86.993, 99.227, 90.00, 90.00, 90.00
R / Rfree (%) 16.9 / 21.4

Other elements in 3fh7:

The structure of Leukotriene A4 Hydrolase Complexed with Inhibitor 4-[(2S)-2-{[4-(4- Chlorophenoxy)Phenoxy]Methyl}Pyrrolidin-1-Yl]Butanoate. also contains other interesting chemical elements:

Ytterbium (Yb) 3 atoms
Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Leukotriene A4 Hydrolase Complexed with Inhibitor 4-[(2S)-2-{[4-(4- Chlorophenoxy)Phenoxy]Methyl}Pyrrolidin-1-Yl]Butanoate. (pdb code 3fh7). 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 Leukotriene A4 Hydrolase Complexed with Inhibitor 4-[(2S)-2-{[4-(4- Chlorophenoxy)Phenoxy]Methyl}Pyrrolidin-1-Yl]Butanoate., PDB code: 3fh7:

Chlorine binding site 1 out of 1 in 3fh7

Go back to Chlorine Binding Sites List in 3fh7
Chlorine binding site 1 out of 1 in the Leukotriene A4 Hydrolase Complexed with Inhibitor 4-[(2S)-2-{[4-(4- Chlorophenoxy)Phenoxy]Methyl}Pyrrolidin-1-Yl]Butanoate.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Leukotriene A4 Hydrolase Complexed with Inhibitor 4-[(2S)-2-{[4-(4- Chlorophenoxy)Phenoxy]Methyl}Pyrrolidin-1-Yl]Butanoate. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl612

b:31.4
occ:0.80
 CLAG A:25P612 0.0 31.4 0.8
CAB A:25P612 1.7 26.6 0.8
CAC A:25P612 2.7 25.9 0.8
CAA A:25P612 2.7 26.1 0.8
O A:HOH1032 3.3 24.6 1.0
O A:HOH1058 3.7 35.1 1.0
CG2 A:VAL367 3.7 28.8 1.0
CG A:PRO382 3.7 20.4 1.0
CG1 A:VAL367 3.8 29.0 1.0
CAD A:25P612 3.9 24.8 0.8
CAF A:25P612 4.0 26.1 0.8
CD A:PRO382 4.0 21.3 1.0
CB A:PRO382 4.1 21.3 1.0
O A:HOH1035 4.1 25.0 1.0
CB A:VAL367 4.4 29.0 1.0
CD2 A:PHE314 4.4 22.2 1.0
CAE A:25P612 4.4 26.7 0.8
CB A:PHE314 4.6 21.7 1.0
O A:LEU365 4.8 27.3 1.0

Reference:

V.Sandanayaka, B.Mamat, R.K.Mishra, J.Winger, M.Krohn, L.M.Zhou, M.Keyvan, L.Enache, D.Sullins, E.Onua, J.Zhang, G.Halldorsdottir, H.Sigthorsdottir, A.Thorlaksdottir, G.Sigthorsson, M.Thorsteinnsdottir, D.R.Davies, L.J.Stewart, D.E.Zembower, T.Andresson, A.S.Kiselyov, J.Singh, M.E.Gurney. Discovery of 4-[(2S)-2-{[4-(4-Chlorophenoxy) Phenoxy]Methyl}-1-Pyrrolidinyl]Butanoic Acid (Dg-051) As A Novel Leukotriene A4 Hydrolase Inhibitor of Leukotriene B4 Biosynthesis. J.Med.Chem. V. 53 573 2010.
ISSN: ISSN 0022-2623
PubMed: 19950900
DOI: 10.1021/JM900838G
Page generated: Sat Jul 20 19:25:19 2024

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