3PPM
Crystal Structure of a Noncovalently Bound alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to a Humanized Variant of Fatty Acid Amide Hydrolase
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000139 | cellular_component | Golgi membrane |
| A | 0004040 | molecular_function | amidase activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005543 | molecular_function | phospholipid binding |
| A | 0005789 | cellular_component | endoplasmic reticulum membrane |
| A | 0006629 | biological_process | lipid metabolic process |
| A | 0006631 | biological_process | fatty acid metabolic process |
| A | 0008289 | molecular_function | lipid binding |
| A | 0009062 | biological_process | fatty acid catabolic process |
| A | 0016042 | biological_process | lipid catabolic process |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0016788 | molecular_function | hydrolase activity, acting on ester bonds |
| A | 0017064 | molecular_function | fatty acid amide hydrolase activity |
| A | 0031090 | cellular_component | organelle membrane |
| A | 0035902 | biological_process | response to immobilization stress |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0045471 | biological_process | response to ethanol |
| A | 0045907 | biological_process | positive regulation of vasoconstriction |
| A | 0047372 | molecular_function | monoacylglycerol lipase activity |
| A | 0052651 | biological_process | monoacylglycerol catabolic process |
| A | 0098793 | cellular_component | presynapse |
| A | 0098794 | cellular_component | postsynapse |
| A | 0098978 | cellular_component | glutamatergic synapse |
| A | 0150036 | biological_process | regulation of trans-synaptic signaling by endocannabinoid, modulating synaptic transmission |
| B | 0000139 | cellular_component | Golgi membrane |
| B | 0004040 | molecular_function | amidase activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005543 | molecular_function | phospholipid binding |
| B | 0005789 | cellular_component | endoplasmic reticulum membrane |
| B | 0006629 | biological_process | lipid metabolic process |
| B | 0006631 | biological_process | fatty acid metabolic process |
| B | 0008289 | molecular_function | lipid binding |
| B | 0009062 | biological_process | fatty acid catabolic process |
| B | 0016042 | biological_process | lipid catabolic process |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0016788 | molecular_function | hydrolase activity, acting on ester bonds |
| B | 0017064 | molecular_function | fatty acid amide hydrolase activity |
| B | 0031090 | cellular_component | organelle membrane |
| B | 0035902 | biological_process | response to immobilization stress |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0045471 | biological_process | response to ethanol |
| B | 0045907 | biological_process | positive regulation of vasoconstriction |
| B | 0047372 | molecular_function | monoacylglycerol lipase activity |
| B | 0052651 | biological_process | monoacylglycerol catabolic process |
| B | 0098793 | cellular_component | presynapse |
| B | 0098794 | cellular_component | postsynapse |
| B | 0098978 | cellular_component | glutamatergic synapse |
| B | 0150036 | biological_process | regulation of trans-synaptic signaling by endocannabinoid, modulating synaptic transmission |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE JG1 A 600 |
| Chain | Residue |
| A | LYS142 |
| A | GLY268 |
| A | LEU278 |
| A | THR488 |
| A | F603 |
| A | MET191 |
| A | PHE192 |
| A | SER193 |
| A | SER217 |
| A | THR236 |
| A | ILE238 |
| A | SER241 |
| A | LYS267 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL A 601 |
| Chain | Residue |
| A | ASN259 |
| A | HOH866 |
| B | ASN259 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL A 602 |
| Chain | Residue |
| A | LYS47 |
| A | HIS150 |
| A | ASP151 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE F A 603 |
| Chain | Residue |
| A | ASP237 |
| A | ILE238 |
| A | GLY239 |
| A | GLY240 |
| A | SER241 |
| A | JG1600 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE PEG A 604 |
| Chain | Residue |
| A | ASN434 |
| A | PRO438 |
| A | LYS443 |
| A | HOH665 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE PEG A 605 |
| Chain | Residue |
| A | ASN334 |
| A | TYR526 |
| site_id | AC7 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE JG1 B 600 |
| Chain | Residue |
| B | LYS142 |
| B | MET191 |
| B | PHE192 |
| B | SER193 |
| B | SER217 |
| B | THR236 |
| B | ILE238 |
| B | SER241 |
| B | LYS267 |
| B | GLY268 |
| B | LEU278 |
| B | PHE381 |
| B | THR488 |
| B | MET495 |
| B | F602 |
| site_id | AC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL B 601 |
| Chain | Residue |
| B | TRP531 |
| B | HOH743 |
| B | HOH947 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE F B 602 |
| Chain | Residue |
| B | ASP237 |
| B | ILE238 |
| B | GLY239 |
| B | GLY240 |
| B | SER241 |
| B | JG1600 |
| site_id | BC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE 1DO B 603 |
| Chain | Residue |
| B | SER146 |
| B | PRO163 |
| B | SER164 |
| B | GLU165 |
| B | TYR271 |
| B | ARG343 |
| site_id | BC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE PEG B 604 |
| Chain | Residue |
| B | ASN434 |
| B | ARG437 |
| B | PRO438 |
| B | ARG439 |
| B | HOH907 |
| B | HOH1094 |
| site_id | BC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE PEG B 605 |
| Chain | Residue |
| B | ASN334 |
| B | HOH879 |
Functional Information from PROSITE/UniProt
| site_id | PS00571 |
| Number of Residues | 32 |
| Details | AMIDASES Amidases signature. GGSSGGeGAlIGsggsplGlGtDiGgSIRfPS |
| Chain | Residue | Details |
| A | GLY215-SER246 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 58 |
| Details | Intramembrane: {"evidences":[{"evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | Active site: {"description":"Charge relay system"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Acyl-ester intermediate"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 10 |
| Details | Binding site: {} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"O00519","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 7 |
| Details | M-CSA 731 |
| Chain | Residue | Details |
| A | LYS142 | proton acceptor, proton donor |
| A | SER217 | proton acceptor, proton donor, proton relay |
| A | SER218 | electrostatic stabiliser |
| A | ILE238 | electrostatic stabiliser |
| A | GLY239 | electrostatic stabiliser |
| A | GLY240 | electrostatic stabiliser |
| A | SER241 | nucleofuge, nucleophile, proton acceptor, proton donor |
| site_id | MCSA2 |
| Number of Residues | 7 |
| Details | M-CSA 731 |
| Chain | Residue | Details |
| B | LYS142 | proton acceptor, proton donor |
| B | SER217 | proton acceptor, proton donor, proton relay |
| B | SER218 | electrostatic stabiliser |
| B | ILE238 | electrostatic stabiliser |
| B | GLY239 | electrostatic stabiliser |
| B | GLY240 | electrostatic stabiliser |
| B | SER241 | nucleofuge, nucleophile, proton acceptor, proton donor |
