2C66

MAO inhibition by rasagiline analogues

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005515	molecular_function	protein binding
A	0005739	cellular_component	mitochondrion
A	0005740	cellular_component	mitochondrial envelope
A	0005741	cellular_component	mitochondrial outer membrane
A	0008131	molecular_function	primary methylamine oxidase activity
A	0009055	molecular_function	electron transfer activity
A	0016020	cellular_component	membrane
A	0016491	molecular_function	oxidoreductase activity
A	0021762	biological_process	substantia nigra development
A	0042420	biological_process	dopamine catabolic process
A	0050660	molecular_function	flavin adenine dinucleotide binding
A	0050665	biological_process	hydrogen peroxide biosynthetic process
A	0097621	molecular_function	monoamine oxidase activity
B	0005515	molecular_function	protein binding
B	0005739	cellular_component	mitochondrion
B	0005740	cellular_component	mitochondrial envelope
B	0005741	cellular_component	mitochondrial outer membrane
B	0008131	molecular_function	primary methylamine oxidase activity
B	0009055	molecular_function	electron transfer activity
B	0016020	cellular_component	membrane
B	0016491	molecular_function	oxidoreductase activity
B	0021762	biological_process	substantia nigra development
B	0042420	biological_process	dopamine catabolic process
B	0050660	molecular_function	flavin adenine dinucleotide binding
B	0050665	biological_process	hydrogen peroxide biosynthetic process
B	0097621	molecular_function	monoamine oxidase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	38
Details	BINDING SITE FOR RESIDUE FAD A1502

Chain	Residue
A	VAL10
A	GLY40
A	GLY41
A	ARG42
A	THR43
A	GLY57
A	GLY58
A	SER59
A	TYR60
A	ARG233
A	PRO234
A	GLY11
A	VAL235
A	ALA263
A	TRP388
A	TYR393
A	CYS397
A	TYR398
A	GLY425
A	THR426
A	GLY434
A	TYR435
A	GLY13
A	MET436
A	ALA439
A	RM21503
A	HOH2001
A	HOH2003
A	HOH2050
A	HOH2083
A	HOH2084
A	HOH2085
A	ILE14
A	SER15
A	LEU33
A	GLU34
A	ALA35
A	ARG36

---

site_id	AC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE RM2 A1503

Chain	Residue
A	LEU171
A	CYS172
A	ILE198
A	ILE199
A	GLN206
A	TYR326
A	TYR398
A	TYR435
A	FAD1502
A	HOH2086

---

site_id	AC3
Number of Residues	38
Details	BINDING SITE FOR RESIDUE FAD B1497

Chain	Residue
B	VAL10
B	GLY11
B	GLY13
B	ILE14
B	SER15
B	LEU33
B	GLU34
B	ALA35
B	ARG36
B	GLY41
B	ARG42
B	THR43
B	GLY57
B	GLY58
B	SER59
B	TYR60
B	ARG233
B	PRO234
B	VAL235
B	ALA263
B	TRP388
B	TYR393
B	CYS397
B	TYR398
B	GLY425
B	THR426
B	GLY434
B	TYR435
B	MET436
B	ALA439
B	RM21498
B	HOH2011
B	HOH2060
B	HOH2081
B	HOH2100
B	HOH2101
B	HOH2102
B	HOH2103

---

site_id	AC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE RM2 B1498

Chain	Residue
B	LEU171
B	CYS172
B	ILE198
B	ILE199
B	GLN206
B	TYR326
B	TYR398
B	TYR435
B	FAD1497

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	Site: {"description":"Important for catalytic activity"}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"Q8BW75","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	Modified residue: {"description":"S-8alpha-FAD cysteine","evidences":[{"source":"PubMed","id":"11753429","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12913124","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15027868","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15710600","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16366596","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1GOS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1OJ9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1OJA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1OJC","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1OJD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1S2Q","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1S2Y","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1S3B","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1S3E","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2BK3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2BK4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2BK5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2BYB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2C64","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2C65","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2C66","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2C67","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2C70","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2C72","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2C73","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2C75","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2C76","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2V5Z","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2V60","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2V61","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2VRL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2VRM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2VZ2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2XFN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2XFO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2XFP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2XFQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3PO7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3ZYX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4A79","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4A7A","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4CRT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5MRL","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

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Catalytic Information from CSA

site_id	CSA1
Number of Residues	1
Details	Annotated By Reference To The Literature 1b5q

Chain	Residue	Details
A	GLY62

---

site_id	CSA2
Number of Residues	1
Details	Annotated By Reference To The Literature 1b5q

Chain	Residue	Details
B	GLY62

---