6CHH

Structure of human NNMT in complex with bisubstrate inhibitor MS2756

Replaces:  6B1A

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006769	biological_process	nicotinamide metabolic process
A	0008112	molecular_function	nicotinamide N-methyltransferase activity
A	0008168	molecular_function	methyltransferase activity
A	0008757	molecular_function	S-adenosylmethionine-dependent methyltransferase activity
A	0016740	molecular_function	transferase activity
A	0019677	biological_process	NAD+ catabolic process
A	0030760	molecular_function	pyridine N-methyltransferase activity
A	0032259	biological_process	methylation
A	0045722	biological_process	positive regulation of gluconeogenesis
A	0090312	biological_process	positive regulation of protein deacetylation
A	1901847	biological_process	nicotinate metabolic process
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006769	biological_process	nicotinamide metabolic process
B	0008112	molecular_function	nicotinamide N-methyltransferase activity
B	0008168	molecular_function	methyltransferase activity
B	0008757	molecular_function	S-adenosylmethionine-dependent methyltransferase activity
B	0016740	molecular_function	transferase activity
B	0019677	biological_process	NAD+ catabolic process
B	0030760	molecular_function	pyridine N-methyltransferase activity
B	0032259	biological_process	methylation
B	0045722	biological_process	positive regulation of gluconeogenesis
B	0090312	biological_process	positive regulation of protein deacetylation
B	1901847	biological_process	nicotinate metabolic process
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0006769	biological_process	nicotinamide metabolic process
C	0008112	molecular_function	nicotinamide N-methyltransferase activity
C	0008168	molecular_function	methyltransferase activity
C	0008757	molecular_function	S-adenosylmethionine-dependent methyltransferase activity
C	0016740	molecular_function	transferase activity
C	0019677	biological_process	NAD+ catabolic process
C	0030760	molecular_function	pyridine N-methyltransferase activity
C	0032259	biological_process	methylation
C	0045722	biological_process	positive regulation of gluconeogenesis
C	0090312	biological_process	positive regulation of protein deacetylation
C	1901847	biological_process	nicotinate metabolic process
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0006769	biological_process	nicotinamide metabolic process
D	0008112	molecular_function	nicotinamide N-methyltransferase activity
D	0008168	molecular_function	methyltransferase activity
D	0008757	molecular_function	S-adenosylmethionine-dependent methyltransferase activity
D	0016740	molecular_function	transferase activity
D	0019677	biological_process	NAD+ catabolic process
D	0030760	molecular_function	pyridine N-methyltransferase activity
D	0032259	biological_process	methylation
D	0045722	biological_process	positive regulation of gluconeogenesis
D	0090312	biological_process	positive regulation of protein deacetylation
D	1901847	biological_process	nicotinate metabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	25
Details	binding site for residue F0P A 301

Chain	Residue
A	TYR11
A	ASP85
A	TYR86
A	ASN90
A	CYS141
A	ASP142
A	VAL143
A	THR163
A	LEU164
A	ASP167
A	ALA168
A	TYR20
A	ALA169
A	SER201
A	TYR204
A	SER213
A	HOH428
A	HOH438
A	TYR25
A	GLY63
A	SER64
A	GLY65
A	THR67
A	TYR69
A	GLN70

---

site_id	AC2
Number of Residues	2
Details	binding site for residue EDO B 301

Chain	Residue
B	ASN248
B	HOH403

---

site_id	AC3
Number of Residues	3
Details	binding site for residue EDO B 302

Chain	Residue
B	GLY-1
B	MET1
B	GLU2

---

site_id	AC4
Number of Residues	26
Details	binding site for residue F0P B 303

Chain	Residue
B	TYR11
B	TYR20
B	TYR24
B	TYR25
B	GLY63
B	SER64
B	GLY65
B	THR67
B	TYR69
B	ASP85
B	TYR86
B	ASN90
B	CYS141
B	ASP142
B	VAL143
B	THR163
B	LEU164
B	CYS165
B	ASP167
B	ALA169
B	SER201
B	TYR204
B	SER213
B	HOH414
B	HOH421
B	HOH447

---

site_id	AC5
Number of Residues	26
Details	binding site for residue F0P C 301

Chain	Residue
C	TYR20
C	TYR24
C	TYR25
C	GLY63
C	SER64
C	GLY65
C	THR67
C	TYR69
C	GLN70
C	ASP85
C	TYR86
C	ASN90
C	CYS141
C	ASP142
C	VAL143
C	THR163
C	LEU164
C	CYS165
C	ASP167
C	ALA169
C	SER201
C	TYR204
C	SER213
C	TYR242
C	HOH420
C	HOH421

---

site_id	AC6
Number of Residues	24
Details	binding site for residue F0P D 301

Chain	Residue
D	ASP167
D	ALA169
D	SER201
D	TYR204
D	SER213
D	TYR242
D	HOH411
D	TYR20
D	TYR24
D	TYR25
D	GLY63
D	SER64
D	GLY65
D	THR67
D	TYR69
D	GLN70
D	ASP85
D	TYR86
D	ASN90
D	CYS141
D	ASP142
D	VAL143
D	THR163
D	LEU164

---

Functional Information from PROSITE/UniProt

site_id	PS01100
Number of Residues	17
Details	NNMT_PNMT_TEMT NNMT/PNMT/TEMT family of methyltransferases signature. LIDIGSGPTIYQLLSAC

Chain	Residue	Details
A	LEU59-CYS75

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	32
Details	Binding site: {"evidences":[{"source":"PubMed","id":"21823666","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"OCT-2006","submissionDatabase":"PDB data bank","title":"The crystal structure of human nicotinamide N-methyltransferase in complex with SAH.","authoringGroup":["Structural genomics consortium (SGC)"]}}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	8
Details	Binding site: {"evidences":[{"source":"PubMed","id":"21823666","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	12
Details	Modified residue: {"description":"Citrulline; alternate","evidences":[{"source":"PubMed","id":"30044909","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"19608861","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

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