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Ytterbium in PDB 3fui: Leukotriene A4 Hydrolase in Complex with N-Benzyl-4-[(2R)-Pyrrolidin- 2-Ylmethoxy]Aniline

Enzymatic activity of Leukotriene A4 Hydrolase in Complex with N-Benzyl-4-[(2R)-Pyrrolidin- 2-Ylmethoxy]Aniline

All present enzymatic activity of Leukotriene A4 Hydrolase in Complex with N-Benzyl-4-[(2R)-Pyrrolidin- 2-Ylmethoxy]Aniline:
3.3.2.6;

Protein crystallography data

The structure of Leukotriene A4 Hydrolase in Complex with N-Benzyl-4-[(2R)-Pyrrolidin- 2-Ylmethoxy]Aniline, PDB code: 3fui 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 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 78.221, 86.972, 99.408, 90.00, 90.00, 90.00
R / Rfree (%) 18.1 / 24.4

Other elements in 3fui:

The structure of Leukotriene A4 Hydrolase in Complex with N-Benzyl-4-[(2R)-Pyrrolidin- 2-Ylmethoxy]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 N-Benzyl-4-[(2R)-Pyrrolidin- 2-Ylmethoxy]Aniline (pdb code 3fui). 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 N-Benzyl-4-[(2R)-Pyrrolidin- 2-Ylmethoxy]Aniline, PDB code: 3fui:
Jump to Ytterbium binding site number: 1; 2; 3;

Ytterbium binding site 1 out of 3 in 3fui

Go back to Ytterbium Binding Sites List in 3fui
Ytterbium binding site 1 out of 3 in the Leukotriene A4 Hydrolase in Complex with N-Benzyl-4-[(2R)-Pyrrolidin- 2-Ylmethoxy]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 N-Benzyl-4-[(2R)-Pyrrolidin- 2-Ylmethoxy]Aniline within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Yb701

b:30.1
occ:1.00
 O A:HOH1034 2.3 13.0 1.0
OD2 A:ASP47 2.6 28.8 1.0
OD1 A:ASP47 2.8 29.8 1.0
CG A:ASP47 3.0 27.6 1.0
O A:HOH1008 3.2 21.4 1.0
CB A:ASP47 4.4 24.6 1.0
N A:ASN48 4.5 23.5 1.0
O A:HOH1071 4.6 18.9 1.0
O A:HOH1011 4.6 25.6 1.0
O A:HOH1035 4.7 23.4 1.0
CB A:ASN48 4.7 22.7 1.0

Ytterbium binding site 2 out of 3 in 3fui

Go back to Ytterbium Binding Sites List in 3fui
Ytterbium binding site 2 out of 3 in the Leukotriene A4 Hydrolase in Complex with N-Benzyl-4-[(2R)-Pyrrolidin- 2-Ylmethoxy]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 N-Benzyl-4-[(2R)-Pyrrolidin- 2-Ylmethoxy]Aniline within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Yb702

b:85.2
occ:1.00
 OD1 A:ASP175 2.6 36.0 1.0
CG A:ASP175 3.8 34.8 1.0
OD2 A:ASP175 4.2 34.7 1.0
O A:ASP175 4.6 32.1 1.0
CA A:ASP175 4.9 31.7 1.0
CB A:ASP175 4.9 32.1 1.0

Ytterbium binding site 3 out of 3 in 3fui

Go back to Ytterbium Binding Sites List in 3fui
Ytterbium binding site 3 out of 3 in the Leukotriene A4 Hydrolase in Complex with N-Benzyl-4-[(2R)-Pyrrolidin- 2-Ylmethoxy]Aniline


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 N-Benzyl-4-[(2R)-Pyrrolidin- 2-Ylmethoxy]Aniline within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Yb703

b:78.5
occ:1.00
 OD2 A:ASP426 3.1 38.6 1.0
O A:HOH611 3.6 12.1 1.0
CG A:ASP426 3.8 36.7 1.0
OD1 A:ASP426 4.1 42.8 1.0
O A:ASP426 4.5 31.0 1.0
CA A:ASP426 4.7 31.4 1.0
CB A:ASP426 4.8 32.8 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 21:08:13 2024

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