Atomistry » Ytterbium » PDB 3ftz-5i2s » 3fui
Atomistry »
  Ytterbium »
    PDB 3ftz-5i2s »
      3fui »

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: Wed Dec 16 02:41:43 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy