4MIK

Crystal Structure of hPNMT in Complex with bisubstrate inhibitor (2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-(((2-(((7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl)amino)ethyl)thio)methyl)tetrahydrofuran-3,4-diol

External Resource: Annotation

Domain Annotation: SCOP/SCOPe Classification
Domain Annotation: SCOP2 Classification
Domain Annotation: ECOD Classification
Domain Annotation: CATH
Protein Family Annotation
Gene Ontology: Gene Product Annotation
InterPro: Protein Family Classification
Pharos: Disease Associations

Domain Annotation: SCOP/SCOPe Classification SCOP-e Database Homepage

Chains	Domain Info	Class	Fold	Superfamily	Family	Domain	Species	Provenance Source (Version)
A	d4mika_	Alpha and beta proteins (a/b)	S-adenosyl-L-methionine-dependent methyltransferases	S-adenosyl-L-methionine-dependent methyltransferases	Arylamine N-methyltransferase	automated matches	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
B	d4mikb_	Alpha and beta proteins (a/b)	S-adenosyl-L-methionine-dependent methyltransferases	S-adenosyl-L-methionine-dependent methyltransferases	Arylamine N-methyltransferase	automated matches	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
A	SCOP2B Superfamily	S-adenosyl-L-methionine-dependent methyltransferases	8041718	3000118	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	S-adenosyl-L-methionine-dependent methyltransferases	8041718	3000118	SCOP2B (2022-06-29)

Domain Annotation: ECOD Classification ECOD Database Homepage

Chains	Family Name	Domain Identifier	Architecture	Possible Homology	Homology	Topology	Family	Provenance Source (Version)
A	PF01234	e4mikA1	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: S-adenosyl-L-methionine-dependent methyltransferases	F: PF01234	ECOD (1.6)
B	PF01234	e4mikB1	A: a/b three-layered sandwiches	X: Rossmann-like	H: Rossmann-related	T: S-adenosyl-L-methionine-dependent methyltransferases	F: PF01234	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	3.40.50.150	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Vaccinia Virus protein VP39	CATH (4.3.0)
B	3.40.50.150	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Vaccinia Virus protein VP39	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B	PF01234	NNMT/PNMT/TEMT family (NNMT_PNMT_TEMT)	NNMT/PNMT/TEMT family	-	Family

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B	Phenylethanolamine N-methyltransferase	phenylethanolamine N-methyltransferase activity transferase activity, transferring one-carbon groups N-methyltransferase activity transferase activity methyltransferase activity catalytic activity S-adenosylmethionine-dependent methyltransferase activity	organonitrogen compound metabolic process organic hydroxy compound metabolic process organonitrogen compound biosynthetic process catechol-containing compound metabolic process organic cyclic compound metabolic process amine metabolic process biogenic amine biosynthetic process organic substance metabolic process biosynthetic process catecholamine metabolic process amine biosynthetic process phenol-containing compound metabolic process organic hydroxy compound biosynthetic process organic cyclic compound biosynthetic process catecholamine biosynthetic process organonitrogen compound metabolic process organic hydroxy compound metabolic process organonitrogen compound biosynthetic process catechol-containing compound metabolic process organic cyclic compound metabolic process amine metabolic process biogenic amine biosynthetic process organic substance metabolic process biosynthetic process catecholamine metabolic process amine biosynthetic process phenol-containing compound metabolic process organic hydroxy compound biosynthetic process organic cyclic compound biosynthetic process catecholamine biosynthetic process organic substance biosynthetic process phenol-containing compound biosynthetic process metabolic process catechol-containing compound biosynthetic process biogenic amine metabolic process methylation epinephrine biosynthetic process epinephrine metabolic process	intracellular anatomical structure cytoplasm cellular anatomical entity cytosol

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B	IPR025820	Methyltransferase NNMT/PNMT/TEMT, conserved site	Conserved Site
A, B	IPR000940	Methyltransferase, NNMT/PNMT/TEMT	Family
A, B	IPR029063	S-adenosyl-L-methionine-dependent methyltransferase superfamily	Homologous Superfamily

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A, B	Pharos: P11086	adenoma inflammatory bowel disease malignant glioma primary biliary cholangitis systemic lupus erythematosus bipolar disorder lung adenocarcinoma malignant mesothelioma psoriasis ulcerative colitis Crohn disease lung cancer marginal zone lymphoma rheumatoid arthritis

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.