3QK5
Crystal structure of fatty acid amide hydrolase with small molecule inhibitor
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 | 17 |
| Details | BINDING SITE FOR RESIDUE QK5 A 600 |
| Chain | Residue |
| A | MET191 |
| A | PHE381 |
| A | LEU404 |
| A | ILE407 |
| A | LEU429 |
| A | GLY485 |
| A | THR488 |
| A | TRP531 |
| A | HOH594 |
| A | LEU192 |
| A | SER193 |
| A | PHE194 |
| A | ILE238 |
| A | GLY239 |
| A | GLY240 |
| A | SER241 |
| A | PHE244 |
| site_id | AC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO A 580 |
| Chain | Residue |
| A | ARG34 |
| A | VAL397 |
| site_id | AC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO A 581 |
| Chain | Residue |
| A | THR32 |
| A | HOH680 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO A 582 |
| Chain | Residue |
| A | ASN334 |
| A | TYR526 |
| A | HOH758 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL A 583 |
| Chain | Residue |
| A | VAL509 |
| A | THR510 |
| B | LEU64 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO A 584 |
| Chain | Residue |
| A | GLU288 |
| A | LEU292 |
| A | LYS295 |
| A | PHE314 |
| A | GLU316 |
| A | ARG320 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO A 585 |
| Chain | Residue |
| A | ARG437 |
| A | PRO438 |
| A | ARG439 |
| A | LYS443 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 586 |
| Chain | Residue |
| A | GLY250 |
| A | ILE251 |
| A | ARG285 |
| A | HOH611 |
| A | HOH828 |
| site_id | AC9 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE QK5 B 600 |
| Chain | Residue |
| B | LEU192 |
| B | SER193 |
| B | ILE238 |
| B | GLY239 |
| B | GLY240 |
| B | SER241 |
| B | PHE244 |
| B | LEU380 |
| B | PHE381 |
| B | LEU404 |
| B | ILE407 |
| B | LEU429 |
| B | GLY485 |
| B | THR488 |
| B | HOH590 |
| B | HOH924 |
| site_id | BC1 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO B 581 |
| Chain | Residue |
| B | ARG439 |
| B | HOH754 |
| site_id | BC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO B 583 |
| Chain | Residue |
| B | ASN334 |
| B | TYR526 |
| B | HOH619 |
| site_id | BC3 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE EDO B 584 |
| Chain | Residue |
| B | ARG285 |
| site_id | BC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO B 585 |
| Chain | Residue |
| B | SER321 |
| B | SER322 |
| B | ARG563 |
| B | ARG566 |
| B | GLU567 |
| B | HOH902 |
| site_id | BC5 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE EDO B 586 |
| Chain | Residue |
| B | SER146 |
| site_id | BC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO B 587 |
| Chain | Residue |
| B | LEU80 |
| B | GLN81 |
| B | GLU288 |
| B | HOH629 |
| B | HOH862 |
| site_id | BC7 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO B 588 |
| Chain | Residue |
| A | ASN366 |
| A | HOH746 |
| A | HOH906 |
| B | ASP517 |
| B | LYS540 |
| B | ASN541 |
| B | HOH643 |
| B | HOH861 |
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 |
