7NBQ
Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor (4)
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 | 0009410 | biological_process | response to xenobiotic stimulus |
| A | 0030760 | molecular_function | pyridine N-methyltransferase activity |
| A | 0031100 | biological_process | animal organ regeneration |
| A | 0032259 | biological_process | methylation |
| A | 0034356 | biological_process | NAD biosynthesis via nicotinamide riboside salvage pathway |
| A | 0045722 | biological_process | positive regulation of gluconeogenesis |
| A | 0090312 | biological_process | positive regulation of protein deacetylation |
| 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 | 0009410 | biological_process | response to xenobiotic stimulus |
| B | 0030760 | molecular_function | pyridine N-methyltransferase activity |
| B | 0031100 | biological_process | animal organ regeneration |
| B | 0032259 | biological_process | methylation |
| B | 0034356 | biological_process | NAD biosynthesis via nicotinamide riboside salvage pathway |
| B | 0045722 | biological_process | positive regulation of gluconeogenesis |
| B | 0090312 | biological_process | positive regulation of protein deacetylation |
| 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 | 0009410 | biological_process | response to xenobiotic stimulus |
| C | 0030760 | molecular_function | pyridine N-methyltransferase activity |
| C | 0031100 | biological_process | animal organ regeneration |
| C | 0032259 | biological_process | methylation |
| C | 0034356 | biological_process | NAD biosynthesis via nicotinamide riboside salvage pathway |
| C | 0045722 | biological_process | positive regulation of gluconeogenesis |
| C | 0090312 | biological_process | positive regulation of protein deacetylation |
| 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 | 0009410 | biological_process | response to xenobiotic stimulus |
| D | 0030760 | molecular_function | pyridine N-methyltransferase activity |
| D | 0031100 | biological_process | animal organ regeneration |
| D | 0032259 | biological_process | methylation |
| D | 0034356 | biological_process | NAD biosynthesis via nicotinamide riboside salvage pathway |
| D | 0045722 | biological_process | positive regulation of gluconeogenesis |
| D | 0090312 | biological_process | positive regulation of protein deacetylation |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 21 |
| Details | binding site for residue SAH A 4001 |
| Chain | Residue |
| A | TYR11 |
| A | ASP85 |
| A | TYR86 |
| A | SER87 |
| A | ASN90 |
| A | ASP142 |
| A | VAL143 |
| A | THR163 |
| A | LEU164 |
| A | ALA169 |
| A | U724002 |
| A | TYR20 |
| A | HOH4128 |
| A | HOH4136 |
| A | TYR25 |
| A | GLY63 |
| A | SER64 |
| A | GLY65 |
| A | THR67 |
| A | TYR69 |
| A | GLN70 |
| site_id | AC2 |
| Number of Residues | 11 |
| Details | binding site for residue U72 A 4002 |
| Chain | Residue |
| A | TYR20 |
| A | TYR24 |
| A | LEU164 |
| A | ASP197 |
| A | ALA198 |
| A | SER201 |
| A | TYR204 |
| A | SER213 |
| A | TYR242 |
| A | ALA247 |
| A | SAH4001 |
| site_id | AC3 |
| Number of Residues | 22 |
| Details | binding site for residue SAH B 4001 |
| Chain | Residue |
| B | TYR11 |
| B | TYR20 |
| B | TYR25 |
| B | GLY63 |
| B | SER64 |
| B | GLY65 |
| B | THR67 |
| B | TYR69 |
| B | ASP85 |
| B | TYR86 |
| B | SER87 |
| B | ASN90 |
| B | CYS141 |
| B | ASP142 |
| B | VAL143 |
| B | THR163 |
| B | LEU164 |
| B | CYS165 |
| B | ALA169 |
| B | U724002 |
| B | HOH4105 |
| B | HOH4150 |
| site_id | AC4 |
| Number of Residues | 11 |
| Details | binding site for residue U72 B 4002 |
| Chain | Residue |
| B | TYR20 |
| B | TYR24 |
| B | LEU164 |
| B | ASP197 |
| B | ALA198 |
| B | SER201 |
| B | TYR204 |
| B | SER213 |
| B | TYR242 |
| B | ALA247 |
| B | SAH4001 |
| site_id | AC5 |
| Number of Residues | 20 |
| Details | binding site for residue SAH C 4001 |
| Chain | Residue |
| C | TYR11 |
| C | TYR20 |
| C | TYR25 |
| C | GLY63 |
| C | SER64 |
| C | GLY65 |
| C | THR67 |
| C | TYR69 |
| C | ASP85 |
| C | TYR86 |
| C | ASN90 |
| C | CYS141 |
| C | ASP142 |
| C | VAL143 |
| C | THR163 |
| C | LEU164 |
| C | CYS165 |
| C | ALA169 |
| C | U724002 |
| C | HOH4113 |
| site_id | AC6 |
| Number of Residues | 9 |
| Details | binding site for residue U72 C 4002 |
| Chain | Residue |
| C | TYR20 |
| C | LEU164 |
| C | ALA198 |
| C | SER201 |
| C | TYR204 |
| C | SER213 |
| C | TYR242 |
| C | ALA247 |
| C | SAH4001 |
| site_id | AC7 |
| Number of Residues | 22 |
| Details | binding site for residue SAH D 4001 |
| Chain | Residue |
| D | GLY65 |
| D | THR67 |
| D | TYR69 |
| D | GLN70 |
| D | ASP85 |
| D | TYR86 |
| D | SER87 |
| D | ASN90 |
| D | CYS141 |
| D | ASP142 |
| D | VAL143 |
| D | THR163 |
| D | LEU164 |
| D | CYS165 |
| D | ALA169 |
| D | U724002 |
| D | HOH4129 |
| D | TYR11 |
| D | TYR20 |
| D | TYR25 |
| D | GLY63 |
| D | SER64 |
| site_id | AC8 |
| Number of Residues | 8 |
| Details | binding site for residue U72 D 4002 |
| Chain | Residue |
| D | TYR20 |
| D | LEU164 |
| D | ALA198 |
| D | SER201 |
| D | TYR204 |
| D | SER213 |
| D | TYR242 |
| D | SAH4001 |
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: BINDING => ECO:0000269|PubMed:21823666, ECO:0000269|Ref.12 |
| Chain | Residue | Details |
| A | TYR20 | |
| B | TYR25 | |
| B | GLY63 | |
| B | TYR69 | |
| B | ASP85 | |
| B | ASN90 | |
| B | ASP142 | |
| B | THR163 | |
| C | TYR20 | |
| C | TYR25 | |
| C | GLY63 | |
| A | TYR25 | |
| C | TYR69 | |
| C | ASP85 | |
| C | ASN90 | |
| C | ASP142 | |
| C | THR163 | |
| D | TYR20 | |
| D | TYR25 | |
| D | GLY63 | |
| D | TYR69 | |
| D | ASP85 | |
| A | GLY63 | |
| D | ASN90 | |
| D | ASP142 | |
| D | THR163 | |
| A | TYR69 | |
| A | ASP85 | |
| A | ASN90 | |
| A | ASP142 | |
| A | THR163 | |
| B | TYR20 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:21823666 |
| Chain | Residue | Details |
| A | ASP197 | |
| A | SER213 | |
| B | ASP197 | |
| B | SER213 | |
| C | ASP197 | |
| C | SER213 | |
| D | ASP197 | |
| D | SER213 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 12 |
| Details | MOD_RES: Citrulline; alternate => ECO:0000269|PubMed:30044909 |
| Chain | Residue | Details |
| A | ARG18 | |
| D | ARG18 | |
| D | ARG132 | |
| D | ARG181 | |
| A | ARG132 | |
| A | ARG181 | |
| B | ARG18 | |
| B | ARG132 | |
| B | ARG181 | |
| C | ARG18 | |
| C | ARG132 | |
| C | ARG181 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | MOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861 |
| Chain | Residue | Details |
| A | LYS39 | |
| B | LYS39 | |
| C | LYS39 | |
| D | LYS39 |
