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Zinc 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:

Ytterbium (Yb) 3 atoms

Zinc Binding Sites:

The binding sites of Zinc 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 Zinc atom.
In total only one binding site of Zinc was 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:

Zinc binding site 1 out of 1 in 3chs

Go back to Zinc Binding Sites List in 3chs
Zinc binding site 1 out of 1 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 Zinc with other atoms in the Zn 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:Zn701

b:41.7
occ:1.00
 OE1 A:GLU318 1.9 23.6 1.0
O1 A:4BU901 2.0 43.6 1.0
NE2 A:HIS295 2.0 20.2 1.0
NE2 A:HIS299 2.1 25.6 1.0
CD A:GLU318 2.7 25.5 1.0
OE2 A:GLU318 2.9 26.7 1.0
CD2 A:HIS295 3.0 21.5 1.0
CE1 A:HIS295 3.0 20.3 1.0
C2 A:4BU901 3.0 41.6 1.0
CD2 A:HIS299 3.0 26.1 1.0
CE1 A:HIS299 3.1 25.2 1.0
O3 A:4BU901 3.5 43.4 1.0
CE2 A:TYR383 3.8 25.4 1.0
N5 A:4BU901 3.9 40.2 1.0
ND1 A:HIS295 4.1 21.6 1.0
CG A:HIS295 4.1 22.1 1.0
C4 A:4BU901 4.1 40.6 1.0
OH A:TYR383 4.1 29.2 1.0
CG2 A:THR321 4.1 22.8 1.0
CG A:GLU318 4.2 23.1 1.0
ND1 A:HIS299 4.2 25.0 1.0
CG A:HIS299 4.2 24.9 1.0
CZ A:TYR383 4.3 27.0 1.0
CB A:THR321 4.6 23.0 1.0
OE1 A:GLU271 4.7 25.6 1.0
CB A:GLU318 4.7 22.4 1.0
CD2 A:TYR383 4.7 23.3 1.0
CA A:GLU318 4.8 22.2 1.0
OE2 A:GLU271 4.9 25.6 1.0
OE1 A:GLU296 4.9 22.8 1.0
CD A:GLU271 5.0 24.8 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: Thu Oct 24 11:48:54 2024

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