Ytterbium in PDB 3fuh: Leukotriene A4 Hydrolase in Complex with Fragment 5- Hydroxyindole and Bestatin

All present enzymatic activity of Leukotriene A4 Hydrolase in Complex with Fragment 5- Hydroxyindole and Bestatin:
3.3.2.6;

The structure of Leukotriene A4 Hydrolase in Complex with Fragment 5- Hydroxyindole and Bestatin, PDB code: 3fuh was solved by D.R.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	78.306, 87.226, 99.697, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 21.6

The structure of Leukotriene A4 Hydrolase in Complex with Fragment 5- Hydroxyindole and Bestatin also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Ytterbium atom in the Leukotriene A4 Hydrolase in Complex with Fragment 5- Hydroxyindole and Bestatin (pdb code 3fuh). This binding sites where shown within 5.0 Angstroms radius around Ytterbium atom.
In total 3 binding sites of Ytterbium where determined in the Leukotriene A4 Hydrolase in Complex with Fragment 5- Hydroxyindole and Bestatin, PDB code: 3fuh:
Jump to Ytterbium binding site number: 1; 2; 3;

Ytterbium binding site 1 out of 3 in the Leukotriene A4 Hydrolase in Complex with Fragment 5- Hydroxyindole and Bestatin


Mono view


Stereo pair view

A full contact list of Ytterbium with other atoms in the Yb binding site number 1 of Leukotriene A4 Hydrolase in Complex with Fragment 5- Hydroxyindole and Bestatin within 5.0Å range: probe atom residue distance (Å) B Occ A:Yb702 b:18.5 occ:1.00 OD2 A:ASP481 2.4 17.3 1.0 O A:HOH1035 2.4 20.4 1.0 O A:HOH689 2.5 12.0 1.0 O A:HOH1078 2.5 13.7 1.0 OD1 A:ASP481 2.5 17.2 1.0 O A:HOH1214 2.6 14.1 1.0 CG A:ASP481 2.8 18.4 1.0 CB A:ASP481 4.3 15.8 1.0 OD2 A:ASP482 4.4 18.4 1.0 OD1 A:ASP482 4.4 17.5 1.0 O A:HOH1096 4.6 37.2 1.0 CG A:ASP482 4.7 17.9 1.0 CB A:LYS479 4.9 16.3 1.0

Ytterbium binding site 2 out of 3 in the Leukotriene A4 Hydrolase in Complex with Fragment 5- Hydroxyindole and Bestatin


Mono view


Stereo pair view

A full contact list of Ytterbium with other atoms in the Yb binding site number 2 of Leukotriene A4 Hydrolase in Complex with Fragment 5- Hydroxyindole and Bestatin within 5.0Å range: probe atom residue distance (Å) B Occ A:Yb703 b:85.5 occ:0.50 OD1 A:ASP175 2.5 30.1 1.0 CG A:ASP175 3.5 27.8 1.0 O A:HOH1070 3.9 49.4 1.0 OD2 A:ASP175 4.0 30.5 1.0 O A:ASP175 4.5 26.4 1.0 CB A:ASP175 4.8 24.8 1.0 CA A:ASP175 4.9 24.3 1.0 C A:ASP175 4.9 25.2 1.0

Ytterbium binding site 3 out of 3 in the Leukotriene A4 Hydrolase in Complex with Fragment 5- Hydroxyindole and Bestatin


Mono view


Stereo pair view

A full contact list of Ytterbium with other atoms in the Yb binding site number 3 of Leukotriene A4 Hydrolase in Complex with Fragment 5- Hydroxyindole and Bestatin within 5.0Å range: probe atom residue distance (Å) B Occ A:Yb704 b:0.6 occ:0.50 O A:HOH849 4.5 66.8 1.0 N A:ASP610 4.6 43.5 1.0 CA A:ASP610 4.7 44.6 1.0

D.R.Davies, B.Mamat, O.T.Magnusson, J.Christensen, M.H.Haraldsson, R.Mishra, B.Pease, E.Hansen, J.Singh, D.Zembower, H.Kim, A.S.Kiselyov, A.B.Burgin, M.E.Gurney, L.J.Stewart. Discovery of Leukotriene A4 Hydrolase Inhibitors Using Metabolomics Biased Fragment Crystallography. J.Med.Chem. V. 52 4694 2009.
ISSN: ISSN 0022-2623
PubMed: 19618939
DOI: 10.1021/JM900259H