Chlorine in PDB 3u9w: Structure of Human Leukotriene A4 Hydrolase in Complex with Inhibitor SC57461A

All present enzymatic activity of Structure of Human Leukotriene A4 Hydrolase in Complex with Inhibitor SC57461A:
3.3.2.6;

The structure of Structure of Human Leukotriene A4 Hydrolase in Complex with Inhibitor SC57461A, PDB code: 3u9w was solved by D.Niegowski, M.Thunnissen, F.Tholander, A.Rinaldo-Matthis, A.Muroya, J.Z.Haeggstrom, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	65.37 / 1.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	78.078, 86.799, 99.145, 90.00, 90.00, 90.00
R / Rfree (%)	13.4 / 16.1

The structure of Structure of Human Leukotriene A4 Hydrolase in Complex with Inhibitor SC57461A also contains other interesting chemical elements:

Ytterbium	(Yb)	8 atoms
Zinc	(Zn)	1 atom

The binding sites of Chlorine atom in the Structure of Human Leukotriene A4 Hydrolase in Complex with Inhibitor SC57461A (pdb code 3u9w). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Human Leukotriene A4 Hydrolase in Complex with Inhibitor SC57461A, PDB code: 3u9w:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Human Leukotriene A4 Hydrolase in Complex with Inhibitor SC57461A


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 Leukotriene A4 Hydrolase in Complex with Inhibitor SC57461A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2007 b:18.0 occ:1.00 OG A:SER1084 3.1 12.1 1.0 N A:ASP1058 3.2 8.0 1.0 O A:HOH8130 3.5 14.0 1.0 NH1 A:ARG1078 3.7 25.8 1.0 N A:SER1084 3.7 9.8 1.0 CD A:ARG1078 3.7 21.2 1.0 CA A:LYS1057 3.7 8.7 1.0 CB A:SER1084 3.8 11.1 1.0 CG A:ARG1078 3.8 18.0 1.0 CA A:GLY1083 3.9 8.1 1.0 C A:LYS1057 4.0 7.6 1.0 C A:GLY1083 4.0 8.7 1.0 CA A:ASP1058 4.1 9.0 1.0 O A:THR1056 4.3 10.2 1.0 CB A:ARG1078 4.3 17.2 1.0 OD1 A:ASP1058 4.3 16.1 1.0 CA A:SER1084 4.4 10.1 1.0 CG A:LYS1057 4.5 11.6 1.0 NE A:ARG1078 4.6 27.7 1.0 CZ A:ARG1078 4.6 17.1 1.0 N A:LYS1057 4.6 7.8 1.0 CG A:ASP1058 4.6 12.3 1.0 CB A:LYS1057 4.7 8.9 1.0 C A:THR1056 4.8 8.7 1.0 O A:GLY1083 4.8 9.9 1.0 O A:HOH8433 4.9 28.0 1.0 OG1 A:THR1056 4.9 11.4 1.0

Chlorine binding site 2 out of 2 in the Structure of Human Leukotriene A4 Hydrolase in Complex with Inhibitor SC57461A


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 Leukotriene A4 Hydrolase in Complex with Inhibitor SC57461A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2008 b:11.8 occ:1.00 O A:HOH8389 3.1 22.6 1.0 O A:HOH8365 3.1 18.6 1.0 O A:HOH8079 3.2 11.9 1.0 N A:GLY1515 3.2 7.9 1.0 CB A:PRO1513 3.7 7.6 1.0 N A:LEU1514 3.8 6.7 1.0 CA A:GLY1515 3.8 7.5 1.0 O A:HOH8220 4.1 21.1 1.0 C A:PRO1513 4.2 6.5 1.0 C A:LEU1514 4.2 7.6 1.0 CA A:PRO1513 4.3 7.3 1.0 CA A:LEU1514 4.4 7.3 1.0 O A:HOH8192 4.4 19.6 1.0 CB A:LEU1514 4.6 8.6 1.0 O A:HOH8299 4.7 18.8 1.0 N A:HIS1516 4.9 7.0 1.0 O A:PRO1513 4.9 7.0 1.0 C A:GLY1515 4.9 7.0 1.0 CG A:PRO1513 5.0 8.6 1.0

U.Olsson, D.Niegowski, A.Stsiapanava, M.Thunnissen, J.Z.Haeggstrom, A.Rinaldo-Matthis. Structure of Human Leukotriene A4 Hydrolase in Complex with Inhibitor SC57461A To Be Published.