Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T54582 | Target Info | |||
| Target Name | Nicotinamide phosphoribosyltransferase (NAMPT) | ||||
| Synonyms | Visfatin; PreBcell colonyenhancing factor 1; PreB cellenhancing factor; Pre-B-cell colony-enhancing factor 1; Pre-B cell-enhancing factor; PBEF1; PBEF; Nampt; NAmPRTase | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | NAMPT | ||||
| Biochemical Class | Glycosyltransferases | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | beta-Nicotinamide ribose monophosphate | Ligand Info | |||
| Canonical SMILES | C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)N | ||||
| InChI | 1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/p+1/t7-,8-,9-,11-/m1/s1 | ||||
| InChIKey | DAYLJWODMCOQEW-TURQNECASA-O | ||||
| PubChem Compound ID | 14181 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2GVG Crystal Structure of human NMPRTase and its complex with NMN | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [1] |
| PDB Sequence |
FNILLATDSY
18 KVTHYKQYPP28 NTSKVYSYFE38 CREYEETVFY60 GLQYILNKYL70 KGKVVTKEKI 80 QEAKDVYKEH90 FQDDVFNEKG100 WNYILEKYDG110 HLPIEIKAVP120 EGFVIPRGNV 130 LFTVENTDPE140 CYWLTNWIET150 ILVQSWYPIT160 VATNSREQKK170 ILAKYLLETS 180 GNLDGLEYKL190 HDFGYRGVSS200 QETAGIGASA210 HLVNFKGTDT220 VAGLALIKKY 230 YGTKDPVPGY240 SVPAAEHSTI250 TAWGKDHEKD260 AFEHIVTQFS270 SVPVSVVSDS 280 YDIYNACEKI290 WGEDLRHLIV300 SRSTQAPLII310 RPDSGNPLDT320 VLKVLEILGK 330 KFPVTKGYKL343 LPPYLRVIQG353 DGVDINTLQE363 IVEGMKQKMW373 SIENIAFGSG 383 GGLLQKLTRD393 LLNCSFKCSY403 VVTNGLGINV413 FKDPVADPNK423 RSKKGRLSLH 433 RTPAGNFVTL443 EEGKGDLEEY453 GQDLLHTVFK463 NGKVTKSYSF473 DEIRKNAQLN 483 I
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| PDB ID: 6TAC Human NAMPT deletion mutant in complex with nicotinamide mononucleotide, pyrophosphate, and Mg2+ | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [2] |
| PDB Sequence |
EFNILLATDS
17 YKVTHYKQYP27 PNTSKVYSYF37 ECREVKYEET47 VFYGLQYILN57 KYLKGKVVTK 67 EKIQEAKDVY77 KEHFQDDVFN87 EKGWNYILEK97 YDGHLPIEIK107 AVPEGFVIPR 117 GNVLFTVENT127 DPECYWLTNW137 IETILVQSWY147 PITVATNSRE157 QKKILAKYLL 167 ETSGNLDGLE177 YKLHDFGYRG187 VSSQETAGIG197 ASAHLVNFKG207 TDTVAGLALI 217 KKYYGTKDPV227 PGYSVPAAEH237 STITAWGKDH247 EKDAFEHIVT257 QFSSVPVSVV 267 SDSYDIYNAC277 EKIWGEDLRH287 LIVSRSTQAP297 LIIRPDSGNP307 LDTVLKVLEI 317 LGKKFPVTEN327 SKGYKLLPPY337 LRVIQGDGVD347 INTLQEIVEG357 MKQKMWSIEN 367 IAFGSGGGLL377 QKLTRDLLNC387 SFKCSYVVTN397 GLGINVFKDP407 VADPNKRSKK 417 GRLSLHRTPA427 GNFVTLEEGK437 GDLEEYGQDL447 LHTVFKNGKV457 TKSYSFDEIR 467 KNAQLNI
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HIS181
4.537
PHE183
2.843
GLY184
4.389
TYR185
4.463
ARG186
3.061
GLY187
3.925
ASP209
2.199
SER231
4.698
VAL232
4.920
ALA234
2.697
ALA235
4.390
HIS237
3.797
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| PDB ID: 3DHF Crystal structure of phosphorylated mimic form of human NAMPT complexed with nicotinamide mononucleotide and pyrophosphate | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [3] |
| PDB Sequence |
FNILLATDSY
18 KVTHYKQYPP28 NTSKVYSYFE38 CREYEETVFY60 GLQYILNKYL70 KGKVVTKEKI 80 QEAKDVYKEH90 FQDDVFNEKG100 WNYILEKYDG110 HLPIEIKAVP120 EGFVIPRGNV 130 LFTVENTDPE140 CYWLTNWIET150 ILVQSWYPIT160 VATNSREQKK170 ILAKYLLETS 180 GNLDGLEYKL190 HDFGYRGVSS200 QETAGIGASA210 HLVNFKGTDT220 VAGLALIKKY 230 YGTKDPVPGY240 SVPAAEHSTI250 TAWGKDHEKD260 AFEHIVTQFS270 SVPVSVVSDS 280 YDIYNACEKI290 WGEDLRHLIV300 SRSTQAPLII310 RPDSGNPLDT320 VLKVLEILGK 330 KFPVTENSKG340 YKLLPPYLRV350 IQGDGVDINT360 LQEIVEGMKQ370 KMWSIENIAF 380 GSGGGLLQKL390 TRDLLNCSFK400 CSYVVTNGLG410 INVFKDPVAD420 PNKRSKKGRL 430 SLHRTPAGNF440 VTLEEGKGDL450 EEYGQDLLHT460 VFKNGKVTKS470 YSFDEIRKNA 480 QLNI
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| PDB ID: 3DHD Crystal structure of human NAMPT complexed with nicotinamide mononucleotide and pyrophosphate | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [3] |
| PDB Sequence |
FNILLATDSY
18 KVTHYKQYPP28 NTSKVYSYFE38 CREYEETVFY60 GLQYILNKYL70 KGKVVTKEKI 80 QEAKDVYKEH90 FQDDVFNEKG100 WNYILEKYDG110 HLPIEIKAVP120 EGFVIPRGNV 130 LFTVENTDPE140 CYWLTNWIET150 ILVQSWYPIT160 VATNSREQKK170 ILAKYLLETS 180 GNLDGLEYKL190 HDFGYRGVSS200 QETAGIGASA210 HLVNFKGTDT220 VAGLALIKKY 230 YGTKDPVPGY240 SVPAAEHSTI250 TAWGKDHEKD260 AFEHIVTQFS270 SVPVSVVSDS 280 YDIYNACEKI290 WGEDLRHLIV300 SRSTQAPLII310 RPDSGNPLDT320 VLKVLEILGK 330 KFPVTENSKG340 YKLLPPYLRV350 IQGDGVDINT360 LQEIVEGMKQ370 KMWSIENIAF 380 GSGGGLLQKL390 TRDLLNCSFK400 CSYVVTNGLG410 INVFKDPVAD420 PNKRSKKGRL 430 SLHRTPAGNF440 VTLEEGKGDL450 EEYGQDLLHT460 VFKNGKVTKS470 YSFDEIRKNA 480 QLNI
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NMN or .NMN2 or .NMN3 or :3NMN;style chemicals stick;color identity;select .A:193 or .A:196 or .A:197 or .A:219 or .A:244 or .A:245 or .A:247 or .A:275 or .A:311 or .A:313 or .A:353 or .A:354 or .A:382 or .A:383 or .A:384 or .A:385; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Molecular basis for the inhibition of human NMPRTase, a novel target for anticancer agents. Nat Struct Mol Biol. 2006 Jul;13(7):582-8. | ||||
| REF 2 | Identification of structural determinants of NAMPT activity and substrate selectivity | ||||
| REF 3 | A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT. Proc Natl Acad Sci U S A. 2009 Aug 18;106(33):13748-53. | ||||
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