Ytterbium in PDB 3fh5: Leukotriene A4 Hydrolase Complexed with Inhibitor (2R)-2-[(4- Benzylphenoxy)Methyl]Pyrrolidine.

All present enzymatic activity of Leukotriene A4 Hydrolase Complexed with Inhibitor (2R)-2-[(4- Benzylphenoxy)Methyl]Pyrrolidine.:
3.3.2.6;

The structure of Leukotriene A4 Hydrolase Complexed with Inhibitor (2R)-2-[(4- Benzylphenoxy)Methyl]Pyrrolidine., PDB code: 3fh5 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 / 1.63
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	78.401, 87.007, 99.847, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 20.8

The structure of Leukotriene A4 Hydrolase Complexed with Inhibitor (2R)-2-[(4- Benzylphenoxy)Methyl]Pyrrolidine. also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Ytterbium atom in the Leukotriene A4 Hydrolase Complexed with Inhibitor (2R)-2-[(4- Benzylphenoxy)Methyl]Pyrrolidine. (pdb code 3fh5). This binding sites where shown within 5.0 Angstroms radius around Ytterbium atom.
In total 2 binding sites of Ytterbium where determined in the Leukotriene A4 Hydrolase Complexed with Inhibitor (2R)-2-[(4- Benzylphenoxy)Methyl]Pyrrolidine., PDB code: 3fh5:
Jump to Ytterbium binding site number: 1; 2;

Ytterbium binding site 1 out of 2 in the Leukotriene A4 Hydrolase Complexed with Inhibitor (2R)-2-[(4- Benzylphenoxy)Methyl]Pyrrolidine.


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 Complexed with Inhibitor (2R)-2-[(4- Benzylphenoxy)Methyl]Pyrrolidine. within 5.0Å range: probe atom residue distance (Å) B Occ A:Yb1002 b:13.1 occ:1.00 O A:HOH692 2.2 10.2 1.0 O A:HOH666 2.3 14.9 1.0 O A:ACT1005 2.4 12.4 1.0 OD2 A:ASP481 2.4 13.9 1.0 OXT A:ACT1005 2.4 13.4 1.0 O A:HOH727 2.5 22.7 1.0 OD1 A:ASP481 2.5 12.5 1.0 C A:ACT1005 2.8 14.1 1.0 CG A:ASP481 2.8 12.3 1.0 CH3 A:ACT1005 4.3 13.9 1.0 CB A:ASP481 4.3 10.6 1.0 OD1 A:ASP482 4.3 14.4 1.0 OD2 A:ASP482 4.4 13.4 1.0 O A:HOH678 4.6 12.6 1.0 CG A:ASP482 4.7 13.7 1.0 CB A:LYS479 4.8 10.9 1.0

Ytterbium binding site 2 out of 2 in the Leukotriene A4 Hydrolase Complexed with Inhibitor (2R)-2-[(4- Benzylphenoxy)Methyl]Pyrrolidine.


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 Complexed with Inhibitor (2R)-2-[(4- Benzylphenoxy)Methyl]Pyrrolidine. within 5.0Å range: probe atom residue distance (Å) B Occ A:Yb1003 b:36.3 occ:0.50 OD1 A:ASP175 2.3 25.1 1.0 CG A:ASP175 3.4 22.6 1.0 OD2 A:ASP175 4.0 27.5 1.0 CB A:ASP175 4.6 19.3 1.0 CA A:ASP175 4.8 18.9 1.0

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