Ytterbium in PDB 3fue: Leukotriene A4 Hydrolase in Complex with Fragment 5- Chloroindole and Bestatin

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

The structure of Leukotriene A4 Hydrolase in Complex with Fragment 5- Chloroindole and Bestatin, PDB code: 3fue 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 / 2.38
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	78.084, 86.936, 99.111, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 25

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

Chlorine	(Cl)	1 atom
Zinc	(Zn)	1 atom

The binding sites of Ytterbium atom in the Leukotriene A4 Hydrolase in Complex with Fragment 5- Chloroindole and Bestatin (pdb code 3fue). 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- Chloroindole and Bestatin, PDB code: 3fue:
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- Chloroindole 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- Chloroindole and Bestatin within 5.0Å range: probe atom residue distance (Å) B Occ A:Yb702 b:16.9 occ:1.00 OD1 A:ASP481 2.4 2.0 1.0 OD2 A:ASP481 2.4 6.0 1.0 CG A:ASP481 2.7 6.8 1.0 O A:HOH671 2.8 2.1 1.0 CB A:ASP481 4.3 9.5 1.0 OD2 A:ASP482 4.3 11.8 1.0 O A:HOH736 4.3 14.2 1.0 OD1 A:ASP482 4.6 15.3 1.0 CB A:LYS479 4.7 11.7 1.0 CG A:ASP482 4.8 12.7 1.0

Ytterbium binding site 2 out of 3 in the Leukotriene A4 Hydrolase in Complex with Fragment 5- Chloroindole 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- Chloroindole and Bestatin within 5.0Å range: probe atom residue distance (Å) B Occ A:Yb703 b:75.1 occ:1.00 OD2 A:ASP426 3.4 35.0 1.0 CG A:ASP426 3.7 26.9 1.0 OD1 A:ASP426 4.0 30.4 1.0 O A:HOH728 4.4 12.2 1.0 CA A:ASP426 4.5 20.3 1.0 CB A:ASP426 4.6 22.4 1.0 O A:ASP426 4.6 21.1 1.0 CB A:TYR429 4.8 20.1 1.0

Ytterbium binding site 3 out of 3 in the Leukotriene A4 Hydrolase in Complex with Fragment 5- Chloroindole 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- Chloroindole and Bestatin within 5.0Å range: probe atom residue distance (Å) B Occ A:Yb704 b:83.0 occ:1.00 OD1 A:ASP175 2.5 30.5 1.0 CG A:ASP175 3.6 27.4 1.0 OD2 A:ASP175 4.0 31.8 1.0 O A:ASP175 4.6 25.3 1.0 CB A:ASP175 4.8 25.6 1.0 CA A:ASP175 5.0 24.4 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