Brand  (β version)

PDB ID: 3PR0

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Ligands
Code Name Style Show Link
CL Chloride ion PoSSuM
JG2 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptane-1,1-diol PoSSuM
PEG Di(hydroxyethyl)ether PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 3PR0   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Crystal Structure of a Covalently Bound alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to a Humanized Variant of Fatty Acid Amide Hydrolase
Release Data : 2011-11-16
Compound :
mol_id molecule chains synonym
1 Fatty Acid Amide Hydrolase 1 A,B Anandamide amidohydrolase 1, Oleamide hydrolase 1
ec: 3.5.1.4
fragment: deltaTM-FAAH, UNP residues 30-579
mutation: L192F, F194Y, A377T, S435N, I491V, V495M
Source :
mol_id organism_scientific organism_common expression_system
1 Rattus norvegicus  (taxid:10116) Rat Escherichia coli  (taxid:511693)
gene: Faah, faah-1, Faah1
expression_system_strain: BL21 AI
expression_system_vector_type: PLAMSID
expression_system_plasmid: pET28a
Authors : Mileni, M., Han, G.W., Boger, D.L., Stevens, R.C.
Keywords : protein-inhibitor complex, FAAH, oxadiazole, alpha-ketoheterocycle, endocannabinoid degradation, membrane protein, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.200 Å )
Citation :

Fluoride-mediated capture of a noncovalent bound state of a reversible covalent enzyme inhibitor: X-ray crystallographic analysis of an exceptionally potent alpha-ketoheterocycle inhibitor of fatty acid amide hydrolase.

Mileni, M.,Garfunkle, J.,Ezzili, C.  et al.
(2011)  J.Am.Chem.Soc.  133 : 4092 - 4100

PubMed: 21355555
DOI: 10.1021/ja110877y

Reaction

Chain : A, B
UniProt : P97612 (FAAH1_RAT)
Reaction: EC: Evidence:
Physiological Direction:
N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine + H2O = ethanolamine + (5Z,8Z,11Z,14Z)-eicosatetraenoate 3.5.1.99 PubMed:10526230, PubMed:11128635, PubMed:17649977, PubMed:9122178, PubMed:9299394
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(9Z)-octadecenamide + H2O = (9Z)-octadecenoate + NH4(+) 3.5.1.99 PubMed:10526230, PubMed:11128635, PubMed:9122178, PubMed:9299394, PubMed:9790682
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2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycerol + H2O = glycerol + (5Z,8Z,11Z,14Z)-eicosatetraenoate + H(+) - PubMed:10526230, PubMed:15533037, PubMed:17649977
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(9Z,12Z,15Z)-octadecatrienamide + H2O = (9Z,12Z,15Z)- octadecatrienoate + NH4(+) - PubMed:11128635
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(5Z,8Z,11Z,14Z)-eicosatetraenamide + H2O = (5Z,8Z,11Z,14Z)- eicosatetraenoate + NH4(+) - PubMed:11128635, PubMed:9299394
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(6Z)-octadecenamide + H2O = (6Z)-octadecenoate + NH4(+) - PubMed:11128635
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(15Z)-tetracosenamide + H2O = (15Z)-tetracosenoate + NH4(+) - PubMed:11128635
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(8Z,11Z,14Z)-eicosatrienamide + H2O = (8Z,11Z,14Z)- eicosatrienoate + NH4(+) - PubMed:11128635
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(11Z,14Z,17Z)-eicosatrienamide + H2O = (11Z,14Z,17Z)- eicosatrienoate + NH4(+) - PubMed:11128635
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(11Z,14Z)-eicosadienamide + H2O = (11Z,14Z)-eicosadienoate + NH4(+) - PubMed:11128635
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(9Z,12Z)-octadecadienamide + H2O = (9Z,12Z)-octadecadienoate + NH4(+) - PubMed:11128635
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tetradecamide + H2O = tetradecanoate + NH4(+) - PubMed:9122178
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N-(9Z-octadecenoyl) ethanolamine + H2O = ethanolamine + (9Z)- octadecenoate - PubMed:15533037
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N-(9Z-octadecenoyl)-taurine + H2O = taurine + (9Z)- octadecenoate - PubMed:15533037
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1-O-methyl-(5Z,8Z,11Z,14Z)-eicosatetraenoate + H2O = methanol + (5Z,8Z,11Z,14Z)-eicosatetraenoate + H(+) - PubMed:9299394
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(11Z)-eicosenamide + H2O = (11Z)-eicosenoate + NH4(+) - PubMed:11128635
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N-(9Z-hexadecenoyl) ethanolamine + H2O = (9Z)-hexadecenoate + ethanolamine - UniProtKB:O08914
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N-octadecanoyl ethanolamine + H2O = octadecanoate + ethanolamine - UniProtKB:O08914
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N-docosanoyl-ethanolamine + H2O = docosanoate + ethanolamine - UniProtKB:O08914
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N-tetracosanoyl-taurine + H2O = tetracosanoate + taurine - UniProtKB:O08914
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N-(15Z-tetracosenoyl)-ethanolamine + H2O = (15Z)- tetracosenoate + ethanolamine - UniProtKB:O08914
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N-docosanoyl-taurine + H2O = docosanoate + taurine - UniProtKB:O08914
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N-(15Z-tetracosenoyl)-taurine + H2O = (15Z)-tetracosenoate + taurine - UniProtKB:O08914
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N-tricosanoyl-taurine + H2O = tricosanoate + taurine - UniProtKB:O08914
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(9Z)-octadecenoate + glycine = N-(9Z-octadecenoyl)glycine + H2O - UniProtKB:O08914
right-to-left
N-(5Z,8Z,11Z,14Z)-eicosatetraenoyl-glycine + H2O = (5Z,8Z,11Z,14Z)-eicosatetraenoate + glycine - UniProtKB:O08914
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N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-L-serine + H2O = (5Z,8Z,11Z,14Z)-eicosatetraenoate + L-serine - UniProtKB:O08914
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