Structure of PDB 7q8t Chain A Binding Site BS02

Receptor Information
>7q8t Chain A (length=465) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EFNILLATDSYKVTHYKQYPPNTSKVYSYFECREKYEETVFYGLQYILNK
YLKGKVVTKEKIQEAKEVYREHFQDDVFNERGWNYILEKYDGHLPIEVKA
VPEGSVIPRGNVLFTVENTDPECYWLTNWIETILVQSWYPITVATNSREQ
KKILAKYLLETSGNLDGLEYKLHDFGYRGVSSQETAGIGASAHLVNFKGT
DTVAGIALIKKYYGTKDPVPGYSVPAAEHSTITAWGKDHEKDAFEHIVTQ
FSSVPVSVVSDSYDIYNACEKIWGEDLRHLIVSRSTEAPLIIRPDSGNPL
DTVLKVLDILGKKFPVTENSKGYKLLPPYLRVIQGDGVDINTLQEIVEGM
KQKKWSIENVSFGSGGALLQKLTRDLLNCSFKCSYVVTNGLGVNVFKDPV
ADPNKRSKKGRLSLHRTPAGNFVTLEEGKGDLEEYGHDLLHTVFKNGKVT
KSYSFDEVRKNAQLN
Ligand information
Ligand ID9IY
InChIInChI=1S/C25H27N2O10PS/c28-22-21(15-36-38(31,32)33)37-24(23(22)29)17-8-6-16(7-9-17)14-26-25(30)27-18-10-12-20(13-11-18)39(34,35)19-4-2-1-3-5-19/h1-13,21-24,28-29H,14-15H2,(H2,26,27,30)(H2,31,32,33)/t21-,22-,23-,24+/m1/s1
InChIKeyKYXDHJBRPDKXBZ-YCAMKHIRSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)NCc3ccc(cc3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O
OpenEye OEToolkits 2.0.7c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)NCc3ccc(cc3)C4C(C(C(O4)COP(=O)(O)O)O)O
CACTVS 3.385O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)c2ccc(CNC(=O)Nc3ccc(cc3)[S](=O)(=O)c4ccccc4)cc2
CACTVS 3.385O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)c2ccc(CNC(=O)Nc3ccc(cc3)[S](=O)(=O)c4ccccc4)cc2
FormulaC25 H27 N2 O10 P S
Name[(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-[4-[[[4-(phenylsulfonyl)phenyl]carbamoylamino]methyl]phenyl]oxolan-2-yl]methyl dihydrogen phosphate
ChEMBL
DrugBank
ZINC
PDB chain7q8t Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7q8t Crystal structure of NAMPT bound to ligand TSY535(compound 9a)
Resolution2.15 Å
Binding residue
(original residue number in PDB)		Y18 R392 K400
Binding residue
(residue number reindexed from 1)		Y11 R374 K382
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.2.12: nicotinamide phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0005125 cytokine activity
GO:0016757 glycosyltransferase activity
GO:0042802 identical protein binding
GO:0047280 nicotinamide phosphoribosyltransferase activity
Biological Process
GO:0007165 signal transduction
GO:0007623 circadian rhythm
GO:0009435 NAD biosynthetic process
GO:0019363 pyridine nucleotide biosynthetic process
GO:0032922 circadian regulation of gene expression
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:0048511 rhythmic process
GO:0051770 positive regulation of nitric-oxide synthase biosynthetic process
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0016607 nuclear speck
GO:0030054 cell junction

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7q8t, PDBe:7q8t, PDBj:7q8t
PDBsum7q8t
PubMed36873168
UniProtQ99KQ4|NAMPT_MOUSE Nicotinamide phosphoribosyltransferase (Gene Name=Nampt)

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