Brand  (β version)

PDB ID: 5AEN

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Ligands
Code Name Style Show Link
DP8 N,N-dimethyl-2-(4-phenoxyphenoxy)ethanamine PoSSuM
IMD Imidazole PoSSuM
YB Ytterbium (III) ion PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
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Structure summary

Code : 5AEN   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Structure of human Leukotriene A4 hydrolase in complex with inhibitor dimethyl(2- (4-phenoxyphenoxy)ethyl)amine
Release Data : 2015-02-11
Compound :
mol_id molecule chains synonym
1 LEUKOTRIENE A-4 HYDROLASE A LTA-4 HYDROLASE, LEUKOTRIENE A4 HYDROLASE, LEUKOTRIENE A(4)
ec: 3.3.2.6
Source :
mol_id organism_scientific organism_common expression_system
1 HOMO SAPIENS  (taxid:9606) HUMAN ESCHERICHIA COLI  (taxid:469008)
expression_system_strain: BL21(DE3)
expression_system_vector_type: PLASMID
expression_system_vector: PET 24
Authors : Moser, D., Wittmann, S.K., Kramer, J., Blocher, R., Achenbach, J., Pogoryelov, D., Proschak, E.
Keywords : HYDROLASE, LEUKOTRIENE (LT) A4 HYDROLASE/AMINOPEPTIDASE, LTA4H
Exp. method : X-RAY DIFFRACTION ( 1.864 Å )
Citation :

Peng: A Neural Gas-Based Approach for Pharmacophore Elucidation. Method Design, Validation and Virtual Screening for Novel Ligands of Lta4H.

Moser, D.,Wittmann, S.K.,Kramer, J.  et al.
(2015)  J.Chem.Inf.Model.  55 : 284

PubMed: 25625859
DOI: 10.1021/CI500618U

Reaction

Chain : A
UniProt : P09960 (LKHA4_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
H2O + leukotriene A4 = leukotriene B4 3.3.2.6 PubMed:11675384, PubMed:11917124, PubMed:12207002, PubMed:15078870, PubMed:18804029, PubMed:1897988, PubMed:24591641, PubMed:6490615, PubMed:7667299, PubMed:9395533
left-to-right PubMed:11917124
(5S,6S)-epoxy-(18R)-hydroxy-(7E,9E,11Z,14Z,16E)- eicosapentaenoate + H2O = resolvin E1 - PubMed:21206090
left-to-right
(5S,6S)-epoxy-(18S)-hydroxy-(7E,9E,11Z,14Z,16E)- eicosapentaenoate + H2O = 18S-resolvin E1 - PubMed:21206090
left-to-right
Release of the N-terminal residue from a tripeptide. 3.4.11.4 PubMed:11675384, PubMed:11917124, PubMed:20813919, PubMed:24591641, PubMed:9395533
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