Brand  (β version)

PDB ID: 6MRG

Hetero Atom Contents

  The number of atoms exceeds 100,000.
  So, it can not be displayed here.

Select unit:

Select hetatm:   

close
information
centroid:
interaction residue:

Select chain:   Sequence  

Data format:   

Color scheme of protein:

Ligands
Code Name Style Show Link
JXV (1r)-2-{[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino}-1-phenylethan-1-ol PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 6MRG   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/INHIBITOR
Title : FAAH bound to non covalent inhibitor
Release Data : 2018-10-31
Compound :
mol_id molecule chains synonym
1 Fatty-acid amide hydrolase 1 A,B,C,D Anandamide amidohydrolase 1,Oleamide hydrolase 1
ec: 3.5.1.99
Source :
mol_id organism_scientific organism_common expression_system
1 Rattus norvegicus  (taxid:10116) Rat Escherichia coli  (taxid:562)
gene: Faah, Faah1
Authors : Saha, A., Shih, A., Mirzadegan, T., Seierstad, M.
Keywords : Complex, HYDROLASE-INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.770 Å )
Citation :

Predicting the Binding of Fatty Acid Amide Hydrolase Inhibitors by Free Energy Perturbation.

Saha, A.,Shih, A.Y.,Mirzadegan, T.  et al.
(2018)  J Chem Theory Comput  14 : 5815 - 5822

PubMed: 30289722
DOI: 10.1021/acs.jctc.8b00672

Reaction

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