Zinc in PDB 8twx: Synthesis and Evaluation of Diaryl Ether Modulators of the Leukotriene A4 Hydrolase Aminopeptidase Activity

The structure of Synthesis and Evaluation of Diaryl Ether Modulators of the Leukotriene A4 Hydrolase Aminopeptidase Activity, PDB code: 8twx was solved by K.H.Lee, S.H.Lee, M.Paige, S.M.Noble, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.09 / 2.70
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	139.579, 139.579, 84.337, 90, 90, 120
R / Rfree (%)	20.1 / 23.7

The structure of Synthesis and Evaluation of Diaryl Ether Modulators of the Leukotriene A4 Hydrolase Aminopeptidase Activity also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Zinc atom in the Synthesis and Evaluation of Diaryl Ether Modulators of the Leukotriene A4 Hydrolase Aminopeptidase Activity (pdb code 8twx). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Synthesis and Evaluation of Diaryl Ether Modulators of the Leukotriene A4 Hydrolase Aminopeptidase Activity, PDB code: 8twx:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Synthesis and Evaluation of Diaryl Ether Modulators of the Leukotriene A4 Hydrolase Aminopeptidase Activity


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Synthesis and Evaluation of Diaryl Ether Modulators of the Leukotriene A4 Hydrolase Aminopeptidase Activity within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn702 b:73.4 occ:1.00 OE1 A:GLU318 2.0 38.2 1.0 OE2 A:GLU318 2.2 49.5 1.0 O A:HOH901 2.2 38.6 1.0 NE2 A:HIS295 2.3 38.9 1.0 NE2 A:HIS299 2.3 41.7 1.0 CD A:GLU318 2.3 40.8 1.0 OH A:TYR383 3.0 38.6 1.0 CD2 A:HIS295 3.0 40.1 1.0 CD2 A:HIS299 3.2 39.2 1.0 CE1 A:HIS299 3.3 39.3 1.0 CE1 A:HIS295 3.4 38.2 1.0 CE2 A:TYR383 3.6 40.5 1.0 CZ A:TYR383 3.7 39.1 1.0 CG A:GLU318 3.8 37.6 1.0 OE1 A:GLU271 3.8 35.5 1.0 CG A:HIS295 4.3 37.8 1.0 ND1 A:HIS299 4.3 37.4 1.0 CG A:HIS299 4.3 35.9 1.0 O A:HOH989 4.4 34.9 1.0 CD A:GLU271 4.4 37.3 1.0 ND1 A:HIS295 4.4 38.9 1.0 OE2 A:GLU296 4.5 38.9 1.0 OE2 A:GLU271 4.5 38.4 1.0 CB A:GLU318 4.6 36.4 1.0 OE1 A:GLU296 4.8 39.9 1.0 CD2 A:TYR383 4.8 39.0 1.0 CG2 A:THR321 4.9 37.7 1.0 CE1 A:TYR383 4.9 38.2 1.0 CA A:GLU318 5.0 37.4 1.0

Zinc binding site 2 out of 3 in the Synthesis and Evaluation of Diaryl Ether Modulators of the Leukotriene A4 Hydrolase Aminopeptidase Activity


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Synthesis and Evaluation of Diaryl Ether Modulators of the Leukotriene A4 Hydrolase Aminopeptidase Activity within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn702 b:46.3 occ:1.00 OE1 B:GLU318 2.1 37.2 1.0 NE2 B:HIS299 2.3 37.5 1.0 NE2 B:HIS295 2.3 42.7 1.0 O B:HOH897 2.4 38.0 1.0 OE2 B:GLU318 2.4 47.6 1.0 CD B:GLU318 2.5 41.8 1.0 CD2 B:HIS295 3.0 38.8 1.0 OH B:TYR383 3.1 43.5 1.0 CD2 B:HIS299 3.2 38.7 1.0 CE1 B:HIS299 3.3 36.9 1.0 CE1 B:HIS295 3.5 34.5 1.0 CE2 B:TYR383 3.6 48.9 1.0 CZ B:TYR383 3.7 48.2 1.0 OE1 B:GLU271 3.9 41.3 1.0 CG B:GLU318 3.9 38.6 1.0 CG B:HIS295 4.2 35.9 1.0 CG B:HIS299 4.4 38.0 1.0 ND1 B:HIS299 4.4 37.7 1.0 OE2 B:GLU296 4.4 43.7 1.0 ND1 B:HIS295 4.4 36.8 1.0 CD B:GLU271 4.5 40.4 1.0 OE2 B:GLU271 4.6 40.2 1.0 O B:HOH832 4.6 34.2 1.0 CB B:GLU318 4.7 40.1 1.0 O B:HOH908 4.8 30.9 1.0 CD2 B:TYR383 4.8 49.0 1.0 OE1 B:GLU296 4.9 42.5 1.0 CE1 B:TYR383 5.0 49.2 1.0 CD B:GLU296 5.0 41.6 1.0

Zinc binding site 3 out of 3 in the Synthesis and Evaluation of Diaryl Ether Modulators of the Leukotriene A4 Hydrolase Aminopeptidase Activity


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Synthesis and Evaluation of Diaryl Ether Modulators of the Leukotriene A4 Hydrolase Aminopeptidase Activity within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn701 b:39.6 occ:1.00 OE1 C:GLU318 2.1 39.1 1.0 NE2 C:HIS295 2.3 39.3 1.0 NE2 C:HIS299 2.3 41.8 1.0 O C:HOH890 2.4 33.1 1.0 OE2 C:GLU318 2.4 46.9 1.0 CD C:GLU318 2.5 42.7 1.0 CD2 C:HIS295 3.1 39.4 1.0 CD2 C:HIS299 3.2 41.0 1.0 O C:HOH857 3.3 36.5 1.0 OH C:TYR383 3.3 40.9 1.0 CE1 C:HIS299 3.3 39.4 1.0 CE1 C:HIS295 3.4 40.5 1.0 CE2 C:TYR383 3.7 41.7 1.0 CZ C:TYR383 3.9 39.3 1.0 OE1 C:GLU271 3.9 39.7 1.0 CG C:GLU318 4.0 40.9 1.0 CG C:HIS295 4.3 39.7 1.0 CG C:HIS299 4.3 38.0 1.0 ND1 C:HIS299 4.4 36.9 1.0 ND1 C:HIS295 4.4 42.1 1.0 OE2 C:GLU271 4.5 41.2 1.0 CD C:GLU271 4.5 38.7 1.0 O C:HOH877 4.6 35.2 1.0 OE2 C:GLU296 4.7 37.5 1.0 CB C:GLU318 4.8 40.6 1.0 CD2 C:TYR383 4.8 40.8 1.0 CG2 C:THR321 4.9 40.5 1.0 OE1 C:GLU296 4.9 40.2 1.0 CA C:GLU318 5.0 42.3 1.0

K.H.Lee, S.H.Lee, M.Paige, S.M.Noble. Synthesis and Evaluation of Diaryl Ether Modulators of the Leukotriene A4 Hydrolase Aminopeptidase Activity To Be Published.