Crystal Structure of fatty acid amide hydrolase conjugated with the drug-like inhibitor PF-750

4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid

Structure-Guided Inhibitor Design for Human Faah by Interspecies Active Site Conversion.

S241 IS CARBAMYLATED TO 4-(QUINOLIN-3-YLMETHYL)PIPERIDINE-1-CARBALDEHYDE CHEMICAL FORMULA, C16H18N2O

FATTY ACID AMIDE HYDROLASE, OLEAMIDE HYDROLASE 1, ANANDAMIDE AMIDOHYDROLASE 1

MGSSHHHHHHSSASMTGGQQMGRTLYDDDDKDRWGSELETGRQKARGAATRARQKQRASLETMDKAVQRFRLQNPDLDSE
ALLTLPLLQLVQKLQSGELSPEAVFFTYLGKAWEVNKGTNCVTSYLTDCETQLSQAPRQGLLYGVPVSLKECFSYKGHDS
TLGLSLNEGMPSESDCVVVQVLKLQGAVPFVHTNVPQSMFSYDCSNPLFGQTMNPWKSSKSPGGSSGGEGALIGSGGSPL
GLGTDIGGSIRFPSAFCGICGLKPTGNRLSKSGLKGCVYGQTAVQLSLGPMARDVESLALCLKALLCEHLFTLDPTVPPL
PFREEVYRSSRPLRVGYYETDNYTMPSPAMRRALIETKQRLEAAGHTLIPFLPNNIPYALEVLSTGGLFSDGGRSFLQNF
KGDFVDPCLGDLILILRLPSWFKRLLSLLLKPLFPRLAAFLNNMRPRSAEKLWKLQHEIEMYRQSVIAQWKAMNLDVLLT
PMLGPALDLNTPGRATGAVSYTMLYNCLDFPAGVVPVTTVTAEDDAQMELYKGYFGDIWDIILKKAMKNSVGLPVAVQCV
ALPWQEELCLRFMREVEQLMTPQKQPS

CRYSTAL STRUCTURE OF FATTY ACID AMIDE HYDROLASE

ENGINEERED RESIDUE IN CHAIN A, LEU 192 TO PHE ENGINEERED RESIDUE IN CHAIN A, PHE 194 TO TYR ENGINEERED RESIDUE IN CHAIN A, ALA 377 TO THR ENGINEERED RESIDUE IN CHAIN A, SER 435 TO ASN ENGINEERED RESIDUE IN CHAIN A, ILE 491 TO VAL ENGINEERED RESIDUE IN CHAIN A, VAL 495 TO MET ENGINEERED RESIDUE IN CHAIN B, LEU 192 TO PHE ENGINEERED RESIDUE IN CHAIN B, PHE 194 TO TYR ENGINEERED RESIDUE IN CHAIN B, ALA 377 TO THR ENGINEERED RESIDUE IN CHAIN B, SER 435 TO ASN ENGINEERED RESIDUE IN CHAIN B, ILE 491 TO VAL ENGINEERED RESIDUE IN CHAIN B, VAL 495 TO MET
4--QUINOLIN-3-YLMETHYL--PIPERIDINE-1-CARBALDEHYDE (PF7): CARBAMYLATED TO SERINE 241

HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. RESIDUES MARKED UNX REPRESENT UNEXPLAINED DENSITY WITHIN THE ACTIVE SITE. THEY ARE INCLUDED HERE AS THEY MAY REPRESENT IMPORTANT INFORMATION THAT WILL BE USEFUL IN FUTURE STUDIES. THESE ATOMS HAVE BEEN GIVEN 0.00 OCCUPANCY.

HYDROLASE, FATTY ACID AMIDE HYDROLYSE, GOLGI APPARATUS, ENDOPLASMIC RETICULUM, INHIBITOR, DRUG- LIKE, TRANSMEMBRANE, FAAH, CHIMERA, MEMBRANE, COVALENT, HUMANIZED