4LV9
Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
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 | 0005634 | cellular_component | nucleus |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0006954 | biological_process | inflammatory response |
| 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 | 0010628 | biological_process | positive regulation of gene expression |
| A | 0032922 | biological_process | circadian regulation of gene expression |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0043123 | biological_process | positive regulation of canonical NF-kappaB signal transduction |
| A | 0045944 | biological_process | positive regulation of transcription by RNA polymerase II |
| A | 0047280 | molecular_function | nicotinamide phosphoribosyltransferase activity |
| A | 0060612 | biological_process | adipose tissue development |
| A | 0070062 | cellular_component | extracellular exosome |
| A | 0070374 | biological_process | positive regulation of ERK1 and ERK2 cascade |
| A | 1901847 | biological_process | nicotinate metabolic process |
| B | 0005125 | molecular_function | cytokine activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005576 | cellular_component | extracellular region |
| B | 0005634 | cellular_component | nucleus |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0006954 | biological_process | inflammatory response |
| 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 | 0010628 | biological_process | positive regulation of gene expression |
| B | 0032922 | biological_process | circadian regulation of gene expression |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0043123 | biological_process | positive regulation of canonical NF-kappaB signal transduction |
| B | 0045944 | biological_process | positive regulation of transcription by RNA polymerase II |
| B | 0047280 | molecular_function | nicotinamide phosphoribosyltransferase activity |
| B | 0060612 | biological_process | adipose tissue development |
| B | 0070062 | cellular_component | extracellular exosome |
| B | 0070374 | biological_process | positive regulation of ERK1 and ERK2 cascade |
| B | 1901847 | biological_process | nicotinate metabolic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE 20J A 601 |
| Chain | Residue |
| A | PHE193 |
| A | HOH886 |
| B | TYR18 |
| A | ASP219 |
| A | SER241 |
| A | VAL242 |
| A | ALA244 |
| A | ALA245 |
| A | SER275 |
| A | ARG311 |
| A | HOH736 |
| site_id | AC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE 20J A 602 |
| Chain | Residue |
| A | TYR188 |
| A | TYR240 |
| A | SER241 |
| A | VAL242 |
| A | ILE309 |
| A | ALA379 |
| A | HOH885 |
| A | HOH910 |
| site_id | AC3 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE PO4 A 603 |
| Chain | Residue |
| A | ARG40 |
| A | ARG392 |
| A | SER398 |
| A | LYS400 |
| A | HOH787 |
| A | HOH876 |
| A | HOH877 |
| A | HOH878 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE PO4 A 604 |
| Chain | Residue |
| A | GLY383 |
| A | GLY384 |
| A | HOH889 |
| A | HOH920 |
| A | HOH922 |
| A | HOH950 |
| A | HOH1081 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 605 |
| Chain | Residue |
| A | PHE123 |
| A | VAL124 |
| A | ARG434 |
| A | ASN479 |
| A | HOH966 |
| site_id | AC6 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE 20J B 601 |
| Chain | Residue |
| A | TYR18 |
| B | PHE193 |
| B | ASP219 |
| B | SER241 |
| B | VAL242 |
| B | ALA244 |
| B | ALA245 |
| B | SER275 |
| B | ARG311 |
| B | HOH739 |
| B | HOH1155 |
| site_id | AC7 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE 20J B 602 |
| Chain | Residue |
| B | TYR188 |
| B | TYR240 |
| B | VAL242 |
| B | ILE309 |
| B | ALA379 |
| B | HOH857 |
| B | HOH860 |
| B | HOH1155 |
| site_id | AC8 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE PO4 B 603 |
| Chain | Residue |
| B | ARG40 |
| B | ARG392 |
| B | SER398 |
| B | LYS400 |
| B | HOH720 |
| B | HOH865 |
| B | HOH866 |
| B | HOH878 |
| B | HOH1157 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE PO4 B 604 |
| Chain | Residue |
| B | GLY353 |
| B | GLY355 |
| B | GLY383 |
| B | GLY384 |
| B | GLY385 |
| B | HOH757 |
| B | HOH993 |
| site_id | BC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO B 605 |
| Chain | Residue |
| B | GLY128 |
| B | ASN129 |
| B | LYS426 |
| B | VAL441 |
| B | THR442 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 18 |
| Details | Binding site: {} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"PubMed","id":"15592455","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
