3K84

Crystal Structure Analysis of a Oleyl/Oxadiazole/pyridine Inhibitor Bound 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	18
Details	BINDING SITE FOR RESIDUE K84 A 1

Chain	Residue
A	LYS142
A	GLY240
A	SER241
A	LEU278
A	TYR335
A	LEU372
A	GLU373
A	THR377
A	TRP531
A	HOH580
A	MET191
A	PHE192
A	SER193
A	SER217
A	THR236
A	ASP237
A	ILE238
A	GLY239

---

site_id	AC2
Number of Residues	17
Details	BINDING SITE FOR RESIDUE K84 B 1

Chain	Residue
B	LYS142
B	MET191
B	PHE192
B	SER193
B	SER217
B	THR236
B	ASP237
B	ILE238
B	GLY239
B	GLY240
B	SER241
B	LEU278
B	TYR335
B	LEU372
B	GLU373
B	THR377
B	HOH584

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL B 580

Chain	Residue
A	ASN259
A	HOH768
B	ASN259
B	HOH895

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Functional Information from PROSITE/UniProt

site_id	PS00571
Number of Residues	32
Details	AMIDASES Amidases signature. GGSSGGeGAlIGsggsplGlGtDiGgSIRfPS

Chain	Residue	Details
A	GLY215-SER246

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	58
Details	Intramembrane: {"evidences":[{"evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI2
Number of Residues	4
Details	Active site: {"description":"Charge relay system"}

Chain

Residue

Details

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site_id	SWS_FT_FI3
Number of Residues	2
Details	Active site: {"description":"Acyl-ester intermediate"}

Chain

Residue

Details

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site_id	SWS_FT_FI4
Number of Residues	10
Details	Binding site: {}

Chain

Residue

Details

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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

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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

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