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Ytterbium in PDB 3chs: Crystal Structure of Leukotriene A4 Hydrolase in Complex with (2S)-2- Amino-5-[[4-[(2S)-2-Hydroxy-2-Phenyl-Ethoxy]Phenyl]Amino]-5-Oxo- Pentanoic Acid

Enzymatic activity of Crystal Structure of Leukotriene A4 Hydrolase in Complex with (2S)-2- Amino-5-[[4-[(2S)-2-Hydroxy-2-Phenyl-Ethoxy]Phenyl]Amino]-5-Oxo- Pentanoic Acid

All present enzymatic activity of Crystal Structure of Leukotriene A4 Hydrolase in Complex with (2S)-2- Amino-5-[[4-[(2S)-2-Hydroxy-2-Phenyl-Ethoxy]Phenyl]Amino]-5-Oxo- Pentanoic Acid:
3.3.2.6;

Protein crystallography data

The structure of Crystal Structure of Leukotriene A4 Hydrolase in Complex with (2S)-2- Amino-5-[[4-[(2S)-2-Hydroxy-2-Phenyl-Ethoxy]Phenyl]Amino]-5-Oxo- Pentanoic Acid, PDB code: 3chs was solved by M.M.G.M.Thunnissen, M.Adler, M.Whitlow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.96 / 2.55
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 67.618, 133.266, 83.644, 90.00, 90.00, 90.00
R / Rfree (%) 21.1 / 24.8

Other elements in 3chs:

The structure of Crystal Structure of Leukotriene A4 Hydrolase in Complex with (2S)-2- Amino-5-[[4-[(2S)-2-Hydroxy-2-Phenyl-Ethoxy]Phenyl]Amino]-5-Oxo- Pentanoic Acid also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Ytterbium Binding Sites:

The binding sites of Ytterbium atom in the Crystal Structure of Leukotriene A4 Hydrolase in Complex with (2S)-2- Amino-5-[[4-[(2S)-2-Hydroxy-2-Phenyl-Ethoxy]Phenyl]Amino]-5-Oxo- Pentanoic Acid (pdb code 3chs). This binding sites where shown within 5.0 Angstroms radius around Ytterbium atom.
In total 3 binding sites of Ytterbium where determined in the Crystal Structure of Leukotriene A4 Hydrolase in Complex with (2S)-2- Amino-5-[[4-[(2S)-2-Hydroxy-2-Phenyl-Ethoxy]Phenyl]Amino]-5-Oxo- Pentanoic Acid, PDB code: 3chs:
Jump to Ytterbium binding site number: 1; 2; 3;

Ytterbium binding site 1 out of 3 in 3chs

Go back to Ytterbium Binding Sites List in 3chs
Ytterbium binding site 1 out of 3 in the Crystal Structure of Leukotriene A4 Hydrolase in Complex with (2S)-2- Amino-5-[[4-[(2S)-2-Hydroxy-2-Phenyl-Ethoxy]Phenyl]Amino]-5-Oxo- Pentanoic Acid


Mono view


Stereo pair view

A full contact list of Ytterbium with other atoms in the Yb binding site number 1 of Crystal Structure of Leukotriene A4 Hydrolase in Complex with (2S)-2- Amino-5-[[4-[(2S)-2-Hydroxy-2-Phenyl-Ethoxy]Phenyl]Amino]-5-Oxo- Pentanoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Yb801

b:46.7
occ:1.00
 O A:HOH1045 2.3 33.4 1.0
OD1 A:ASP481 2.4 15.4 1.0
OD2 A:ASP481 2.7 19.5 1.0
CG A:ASP481 3.0 20.1 1.0
OD1 A:ASP482 4.3 21.4 1.0
OD2 A:ASP482 4.4 19.9 1.0
CB A:ASP481 4.5 21.4 1.0
CG A:ASP482 4.7 21.0 1.0
CB A:LYS479 4.8 24.0 1.0

Ytterbium binding site 2 out of 3 in 3chs

Go back to Ytterbium Binding Sites List in 3chs
Ytterbium binding site 2 out of 3 in the Crystal Structure of Leukotriene A4 Hydrolase in Complex with (2S)-2- Amino-5-[[4-[(2S)-2-Hydroxy-2-Phenyl-Ethoxy]Phenyl]Amino]-5-Oxo- Pentanoic Acid


Mono view


Stereo pair view

A full contact list of Ytterbium with other atoms in the Yb binding site number 2 of Crystal Structure of Leukotriene A4 Hydrolase in Complex with (2S)-2- Amino-5-[[4-[(2S)-2-Hydroxy-2-Phenyl-Ethoxy]Phenyl]Amino]-5-Oxo- Pentanoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Yb802

b:0.0
occ:0.50
 OE1 A:GLU107 3.1 41.9 1.0
CD A:GLU107 4.1 41.0 1.0
YB A:YB803 4.7 0.5 0.5
CG A:GLU62 4.8 41.7 1.0
OE2 A:GLU107 4.8 41.3 1.0
CG A:GLU107 5.0 39.8 1.0

Ytterbium binding site 3 out of 3 in 3chs

Go back to Ytterbium Binding Sites List in 3chs
Ytterbium binding site 3 out of 3 in the Crystal Structure of Leukotriene A4 Hydrolase in Complex with (2S)-2- Amino-5-[[4-[(2S)-2-Hydroxy-2-Phenyl-Ethoxy]Phenyl]Amino]-5-Oxo- Pentanoic Acid


Mono view


Stereo pair view

A full contact list of Ytterbium with other atoms in the Yb binding site number 3 of Crystal Structure of Leukotriene A4 Hydrolase in Complex with (2S)-2- Amino-5-[[4-[(2S)-2-Hydroxy-2-Phenyl-Ethoxy]Phenyl]Amino]-5-Oxo- Pentanoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Yb803

b:0.5
occ:0.50
 OE2 A:GLU107 2.6 41.3 1.0
OE1 A:GLU107 3.1 41.9 1.0
CD A:GLU107 3.2 41.0 1.0
CD A:ARG31 4.4 47.3 1.0
YB A:YB802 4.7 0.0 0.5
CG A:GLU107 4.7 39.8 1.0
OG1 A:THR33 4.9 44.2 1.0
CG2 A:THR33 5.0 44.7 1.0
CG A:ARG31 5.0 45.1 1.0

Reference:

T.A.Kirkland, M.Adler, J.G.Bauman, M.Chen, J.Z.Haeggstrom, B.King, M.J.Kochanny, A.M.Liang, L.Mendoza, G.B.Phillips, M.Thunnissen, L.Trinh, M.Whitlow, B.Ye, H.Ye, J.Parkinson, W.J.Guilford. Synthesis of Glutamic Acid Analogs As Potent Inhibitors of Leukotriene A4 Hydrolase. Bioorg.Med.Chem. V. 16 4963 2008.
ISSN: ISSN 0968-0896
PubMed: 18394906
DOI: 10.1016/J.BMC.2008.03.042
Page generated: Sat Oct 12 21:03:57 2024

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