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Ytterbium in PDB 3ftv: Leukotriene A4 Hydrolase in Complex with Fragment N- (Pyridin-3-Ylmethyl)Aniline

Enzymatic activity of Leukotriene A4 Hydrolase in Complex with Fragment N- (Pyridin-3-Ylmethyl)Aniline

All present enzymatic activity of Leukotriene A4 Hydrolase in Complex with Fragment N- (Pyridin-3-Ylmethyl)Aniline:
3.3.2.6;

Protein crystallography data

The structure of Leukotriene A4 Hydrolase in Complex with Fragment N- (Pyridin-3-Ylmethyl)Aniline, PDB code: 3ftv 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 / 1.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 78.124, 87.000, 99.328, 90.00, 90.00, 90.00
R / Rfree (%) 17.5 / 20.6

Other elements in 3ftv:

The structure of Leukotriene A4 Hydrolase in Complex with Fragment N- (Pyridin-3-Ylmethyl)Aniline also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Ytterbium Binding Sites:

The binding sites of Ytterbium atom in the Leukotriene A4 Hydrolase in Complex with Fragment N- (Pyridin-3-Ylmethyl)Aniline (pdb code 3ftv). 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 in Complex with Fragment N- (Pyridin-3-Ylmethyl)Aniline, PDB code: 3ftv:
Jump to Ytterbium binding site number: 1; 2;

Ytterbium binding site 1 out of 2 in 3ftv

Go back to Ytterbium Binding Sites List in 3ftv
Ytterbium binding site 1 out of 2 in the Leukotriene A4 Hydrolase in Complex with Fragment N- (Pyridin-3-Ylmethyl)Aniline


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 N- (Pyridin-3-Ylmethyl)Aniline within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Yb702

b:13.2
occ:1.00
O A:HOH654 2.3 6.9 1.0
O A:HOH894 2.4 12.7 1.0
OD2 A:ASP481 2.5 11.4 1.0
OD1 A:ASP481 2.6 10.2 1.0
CG A:ASP481 2.9 11.8 1.0
CB A:ASP481 4.4 11.5 1.0
OD1 A:ASP482 4.5 13.7 1.0
OD2 A:ASP482 4.5 11.7 1.0
O A:HOH1009 4.5 12.7 1.0
O A:HOH1042 4.7 26.7 1.0
CG A:ASP482 4.8 12.6 1.0
CB A:LYS479 4.8 10.2 1.0

Ytterbium binding site 2 out of 2 in 3ftv

Go back to Ytterbium Binding Sites List in 3ftv
Ytterbium binding site 2 out of 2 in the Leukotriene A4 Hydrolase in Complex with Fragment N- (Pyridin-3-Ylmethyl)Aniline


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 N- (Pyridin-3-Ylmethyl)Aniline within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Yb703

b:71.6
occ:1.00
O A:HOH897 3.1 35.5 1.0
OE2 A:GLU46 4.2 27.9 1.0
OE1 A:GLU46 4.5 23.6 1.0
CD A:GLU46 4.7 22.4 1.0

Reference:

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
Page generated: Sat Oct 12 21:05:52 2024

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