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Zinc in PDB 5aen: Structure of Human Leukotriene A4 Hydrolase in Complex with Inhibitor Dimethyl(2-(4-Phenoxyphenoxy)Ethyl)Amine

Enzymatic activity of Structure of Human Leukotriene A4 Hydrolase in Complex with Inhibitor Dimethyl(2-(4-Phenoxyphenoxy)Ethyl)Amine

All present enzymatic activity of Structure of Human Leukotriene A4 Hydrolase in Complex with Inhibitor Dimethyl(2-(4-Phenoxyphenoxy)Ethyl)Amine:
3.3.2.6;

Protein crystallography data

The structure of Structure of Human Leukotriene A4 Hydrolase in Complex with Inhibitor Dimethyl(2-(4-Phenoxyphenoxy)Ethyl)Amine, PDB code: 5aen was solved by D.Moser, S.K.Wittmann, J.Kramer, R.Blocher, J.Achenbach, D.Pogoryelov, E.Proschak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.715 / 1.86
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 76.996, 86.953, 98.223, 90.00, 90.00, 90.00
R / Rfree (%) 17.04 / 18.88

Other elements in 5aen:

The structure of Structure of Human Leukotriene A4 Hydrolase in Complex with Inhibitor Dimethyl(2-(4-Phenoxyphenoxy)Ethyl)Amine also contains other interesting chemical elements:

Ytterbium (Yb) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of Human Leukotriene A4 Hydrolase in Complex with Inhibitor Dimethyl(2-(4-Phenoxyphenoxy)Ethyl)Amine (pdb code 5aen). 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 Structure of Human Leukotriene A4 Hydrolase in Complex with Inhibitor Dimethyl(2-(4-Phenoxyphenoxy)Ethyl)Amine, PDB code: 5aen:

Zinc binding site 1 out of 1 in 5aen

Go back to Zinc Binding Sites List in 5aen
Zinc binding site 1 out of 1 in the Structure of Human Leukotriene A4 Hydrolase in Complex with Inhibitor Dimethyl(2-(4-Phenoxyphenoxy)Ethyl)Amine


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Human Leukotriene A4 Hydrolase in Complex with Inhibitor Dimethyl(2-(4-Phenoxyphenoxy)Ethyl)Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn612

b:13.0
occ:1.00
 OE1 A:GLU318 2.0 10.2 1.0
NE2 A:HIS299 2.1 9.1 1.0
NE2 A:HIS295 2.1 9.4 1.0
CD A:GLU318 2.7 9.6 1.0
OE2 A:GLU318 2.7 8.7 1.0
O A:HOH2342 2.8 13.2 0.3
CE1 A:HIS299 2.9 8.7 1.0
CE1 A:HIS295 3.1 10.1 1.0
CD2 A:HIS295 3.1 9.8 1.0
CD2 A:HIS299 3.2 9.9 1.0
CE2 A:TYR383 3.6 11.1 1.0
O A:HOH2187 3.7 8.6 1.0
OH A:TYR383 3.9 11.4 1.0
O A:HOH2340 3.9 16.5 0.8
ND1 A:HIS299 4.1 9.6 1.0
CZ A:TYR383 4.1 12.3 1.0
CG A:GLU318 4.2 9.2 1.0
ND1 A:HIS295 4.2 10.2 1.0
CG A:HIS295 4.2 10.3 1.0
CG A:HIS299 4.2 9.1 1.0
OE1 A:GLU271 4.5 9.8 1.0
CG2 A:THR321 4.5 9.1 1.0
O A:HOH2188 4.5 7.3 0.9
CD2 A:TYR383 4.5 11.2 1.0
CB A:THR321 4.8 9.2 1.0
CB A:GLU318 4.8 9.1 1.0
CA A:GLU318 4.9 9.5 1.0
OE2 A:GLU271 4.9 8.9 1.0
CD A:GLU271 4.9 9.6 1.0
OE1 A:GLU296 5.0 11.8 1.0

Reference:

D.Moser, S.K.Wittmann, J.Kramer, R.Blocher, J.Achenbach, D.Pogoryelov, E.Proschak. Peng: A Neural Gas-Based Approach For Pharmacophore Elucidation. Method Design, Validation and Virtual Screening For Novel Ligands of LTA4H. J.Chem.Inf.Model. 2015.
ISSN: ESSN 1549-960X
PubMed: 25625859
DOI: 10.1021/CI500618U
Page generated: Wed Dec 16 06:02:56 2020

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