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Ytterbium in PDB 3fuf: Leukotriene A4 Hydrolase in Complex with Fragment 5- Fluoroindole and Bestatin

Enzymatic activity of Leukotriene A4 Hydrolase in Complex with Fragment 5- Fluoroindole and Bestatin

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

Protein crystallography data

The structure of Leukotriene A4 Hydrolase in Complex with Fragment 5- Fluoroindole and Bestatin, PDB code: 3fuf 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 / 2.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 78.497, 87.075, 99.573, 90.00, 90.00, 90.00
R / Rfree (%) 18.6 / 25.1

Other elements in 3fuf:

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

Fluorine (F) 1 atom
Zinc (Zn) 1 atom

Ytterbium Binding Sites:

The binding sites of Ytterbium atom in the Leukotriene A4 Hydrolase in Complex with Fragment 5- Fluoroindole and Bestatin (pdb code 3fuf). 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- Fluoroindole and Bestatin, PDB code: 3fuf:
Jump to Ytterbium binding site number: 1; 2; 3;

Ytterbium binding site 1 out of 3 in 3fuf

Go back to Ytterbium Binding Sites List in 3fuf
Ytterbium binding site 1 out of 3 in the Leukotriene A4 Hydrolase in Complex with Fragment 5- Fluoroindole 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- Fluoroindole and Bestatin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Yb702

b:15.0
occ:1.00
O A:HOH700 2.3 2.0 1.0
OD2 A:ASP481 2.4 9.8 1.0
OD1 A:ASP481 2.4 9.8 1.0
O A:HOH692 2.7 14.3 1.0
CG A:ASP481 2.8 10.2 1.0
OD2 A:ASP482 4.3 10.5 1.0
CB A:ASP481 4.3 9.7 1.0
OD1 A:ASP482 4.7 13.8 1.0
CG A:ASP482 4.8 11.4 1.0
CB A:LYS479 4.9 12.0 1.0

Ytterbium binding site 2 out of 3 in 3fuf

Go back to Ytterbium Binding Sites List in 3fuf
Ytterbium binding site 2 out of 3 in the Leukotriene A4 Hydrolase in Complex with Fragment 5- Fluoroindole 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- Fluoroindole and Bestatin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Yb703

b:77.1
occ:1.00
OD2 A:ASP426 3.4 25.1 1.0
CG A:ASP426 3.8 21.9 1.0
OD1 A:ASP426 4.0 23.1 1.0
CA A:ASP426 4.6 17.4 1.0
O A:ASP426 4.6 18.0 1.0
CB A:ASP426 4.8 19.2 1.0
CB A:TYR429 4.9 16.1 1.0

Ytterbium binding site 3 out of 3 in 3fuf

Go back to Ytterbium Binding Sites List in 3fuf
Ytterbium binding site 3 out of 3 in the Leukotriene A4 Hydrolase in Complex with Fragment 5- Fluoroindole 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- Fluoroindole and Bestatin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Yb704

b:85.8
occ:1.00
OD1 A:ASP175 2.3 27.1 1.0
CG A:ASP175 3.3 22.0 1.0
OD2 A:ASP175 3.7 23.5 1.0
CB A:ASP175 4.6 19.1 1.0
O A:ASP175 4.8 18.7 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

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