4WQ6
The crystal structure of human Nicotinamide phosphoribosyltransferase (NAMPT) in complex with N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide inhibitor (compound 21)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005125 | molecular_function | cytokine activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005576 | cellular_component | extracellular region |
| A | 0005615 | cellular_component | extracellular space |
| A | 0005634 | cellular_component | nucleus |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0007165 | biological_process | signal transduction |
| A | 0007267 | biological_process | cell-cell signaling |
| A | 0007623 | biological_process | circadian rhythm |
| A | 0008284 | biological_process | positive regulation of cell population proliferation |
| A | 0008286 | biological_process | insulin receptor signaling pathway |
| A | 0009435 | biological_process | NAD biosynthetic process |
| A | 0016607 | cellular_component | nuclear speck |
| A | 0016757 | molecular_function | glycosyltransferase activity |
| A | 0019363 | biological_process | pyridine nucleotide biosynthetic process |
| A | 0030054 | cellular_component | cell junction |
| A | 0032922 | biological_process | circadian regulation of gene expression |
| A | 0034356 | biological_process | NAD biosynthesis via nicotinamide riboside salvage pathway |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0045944 | biological_process | positive regulation of transcription by RNA polymerase II |
| A | 0047280 | molecular_function | nicotinamide phosphoribosyltransferase activity |
| A | 0048511 | biological_process | rhythmic process |
| A | 0051770 | biological_process | positive regulation of nitric-oxide synthase biosynthetic process |
| A | 0060612 | biological_process | adipose tissue development |
| A | 0070062 | cellular_component | extracellular exosome |
| B | 0005125 | molecular_function | cytokine activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005576 | cellular_component | extracellular region |
| B | 0005615 | cellular_component | extracellular space |
| B | 0005634 | cellular_component | nucleus |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0007165 | biological_process | signal transduction |
| B | 0007267 | biological_process | cell-cell signaling |
| B | 0007623 | biological_process | circadian rhythm |
| B | 0008284 | biological_process | positive regulation of cell population proliferation |
| B | 0008286 | biological_process | insulin receptor signaling pathway |
| B | 0009435 | biological_process | NAD biosynthetic process |
| B | 0016607 | cellular_component | nuclear speck |
| B | 0016757 | molecular_function | glycosyltransferase activity |
| B | 0019363 | biological_process | pyridine nucleotide biosynthetic process |
| B | 0030054 | cellular_component | cell junction |
| B | 0032922 | biological_process | circadian regulation of gene expression |
| B | 0034356 | biological_process | NAD biosynthesis via nicotinamide riboside salvage pathway |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0045944 | biological_process | positive regulation of transcription by RNA polymerase II |
| B | 0047280 | molecular_function | nicotinamide phosphoribosyltransferase activity |
| B | 0048511 | biological_process | rhythmic process |
| B | 0051770 | biological_process | positive regulation of nitric-oxide synthase biosynthetic process |
| B | 0060612 | biological_process | adipose tissue development |
| B | 0070062 | cellular_component | extracellular exosome |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 18 |
| Details | binding site for residue 3TQ A 601 |
| Chain | Residue |
| A | HIS191 |
| A | ILE309 |
| A | ARG311 |
| A | ILE351 |
| A | PO4602 |
| A | EDO607 |
| A | HOH879 |
| A | HOH896 |
| A | HOH946 |
| B | TYR18 |
| A | PHE193 |
| A | ARG196 |
| A | ASP219 |
| A | SER241 |
| A | VAL242 |
| A | ALA244 |
| A | SER275 |
| A | PRO307 |
| site_id | AC2 |
| Number of Residues | 11 |
| Details | binding site for residue PO4 A 602 |
| Chain | Residue |
| A | ARG196 |
| A | GLU246 |
| A | HIS247 |
| A | ARG311 |
| A | 3TQ601 |
| A | HOH756 |
| A | HOH824 |
| A | HOH1023 |
| B | TYR18 |
| B | HOH804 |
| B | HOH821 |
| site_id | AC3 |
| Number of Residues | 9 |
| Details | binding site for residue PO4 A 603 |
| Chain | Residue |
| A | ARG392 |
| A | SER398 |
| A | LYS400 |
| A | EDO606 |
| A | HOH812 |
| A | HOH818 |
| A | HOH830 |
| B | ARG196 |
| B | HOH824 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 604 |
| Chain | Residue |
| A | PHE123 |
| A | VAL124 |
| A | ARG434 |
| A | ASN479 |
| A | HOH835 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 605 |
| Chain | Residue |
| A | LYS400 |
| A | CYS401 |
| A | PHE414 |
| B | HIS247 |
| B | SER248 |
| B | THR251 |
| B | HOH835 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 606 |
| Chain | Residue |
| A | ARG40 |
| A | ARG392 |
| A | ASP393 |
| A | ASN396 |
| A | CYS397 |
| A | PO4603 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 607 |
| Chain | Residue |
| A | TYR188 |
| A | TYR240 |
| A | 3TQ601 |
| A | HOH819 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 608 |
| Chain | Residue |
| A | LYS99 |
| A | HOH702 |
| A | HOH715 |
| A | HOH728 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 609 |
| Chain | Residue |
| A | ASN67 |
| A | LYS71 |
| A | LYS229 |
| A | HOH942 |
| site_id | AD1 |
| Number of Residues | 8 |
| Details | binding site for residue EDO A 610 |
| Chain | Residue |
| A | TYR23 |
| A | LYS24 |
| A | TYR26 |
| A | PRO27 |
| A | PRO28 |
| A | TYR142 |
| A | HOH978 |
| B | HIS264 |
| site_id | AD2 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 611 |
| Chain | Residue |
| A | GLN63 |
| A | GLU121 |
| A | VAL461 |
| A | LYS469 |
| A | TYR471 |
| A | HOH786 |
| site_id | AD3 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 612 |
| Chain | Residue |
| A | PHE9 |
| A | ASN10 |
| A | LEU13 |
| A | ALA14 |
| A | HOH1012 |
| B | TYR195 |
| B | ALA222 |
| site_id | AD4 |
| Number of Residues | 15 |
| Details | binding site for residue 3TQ B 601 |
| Chain | Residue |
| B | ILE351 |
| B | PO4603 |
| B | HOH896 |
| B | HOH949 |
| B | HOH978 |
| A | TYR18 |
| B | HIS191 |
| B | PHE193 |
| B | ARG196 |
| B | ASP219 |
| B | SER241 |
| B | VAL242 |
| B | ALA244 |
| B | SER275 |
| B | ARG311 |
| site_id | AD5 |
| Number of Residues | 9 |
| Details | binding site for residue PO4 B 602 |
| Chain | Residue |
| A | ARG196 |
| A | HOH824 |
| B | ARG392 |
| B | SER398 |
| B | LYS400 |
| B | EDO605 |
| B | HOH783 |
| B | HOH804 |
| B | HOH830 |
| site_id | AD6 |
| Number of Residues | 10 |
| Details | binding site for residue PO4 B 603 |
| Chain | Residue |
| A | TYR18 |
| A | HOH814 |
| A | HOH818 |
| B | ARG196 |
| B | GLU246 |
| B | HIS247 |
| B | ARG311 |
| B | 3TQ601 |
| B | HOH803 |
| B | HOH824 |
| site_id | AD7 |
| Number of Residues | 7 |
| Details | binding site for residue EDO B 604 |
| Chain | Residue |
| A | HIS247 |
| A | SER248 |
| A | THR251 |
| B | LYS400 |
| B | CYS401 |
| B | PHE414 |
| B | SER425 |
| site_id | AD8 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 605 |
| Chain | Residue |
| B | ARG40 |
| B | ARG392 |
| B | ASP393 |
| B | ASN396 |
| B | CYS397 |
| B | PO4602 |
| site_id | AD9 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 606 |
| Chain | Residue |
| B | PHE123 |
| B | VAL124 |
| B | ASN479 |
| B | HOH801 |
| site_id | AE1 |
| Number of Residues | 3 |
| Details | binding site for residue EDO B 607 |
| Chain | Residue |
| B | ASN67 |
| B | LYS71 |
| B | SER470 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 14 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | ARG196 | |
| B | HIS247 | |
| B | ARG311 | |
| B | GLY353 | |
| B | GLY384 | |
| B | ARG392 | |
| A | ASP219 | |
| A | HIS247 | |
| A | ARG311 | |
| A | GLY353 | |
| A | GLY384 | |
| A | ARG392 | |
| B | ARG196 | |
| B | ASP219 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | MOD_RES: N-acetylmethionine => ECO:0007744|PubMed:22223895 |
| Chain | Residue | Details |
| A | MET1 | |
| B | MET1 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphotyrosine => ECO:0007744|PubMed:15592455 |
| Chain | Residue | Details |
| A | TYR188 | |
| B | TYR188 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163 |
| Chain | Residue | Details |
| A | SER472 | |
| B | SER472 |
