Structure of PDB 3dhf Chain B Binding Site BS01
Receptor Information
>3dhf Chain B (length=464) Species:
9606
(Homo sapiens) [
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FNILLATDSYKVTHYKQYPPNTSKVYSYFECREYEETVFYGLQYILNKYL
KGKVVTKEKIQEAKDVYKEHFQDDVFNEKGWNYILEKYDGHLPIEIKAVP
EGFVIPRGNVLFTVENTDPECYWLTNWIETILVQSWYPITVATNSREQKK
ILAKYLLETSGNLDGLEYKLHDFGYRGVSSQETAGIGASAHLVNFKGTDT
VAGLALIKKYYGTKDPVPGYSVPAAEHSTITAWGKDHEKDAFEHIVTQFS
SVPVSVVSDSYDIYNACEKIWGEDLRHLIVSRSTQAPLIIRPDSGNPLDT
VLKVLEILGKKFPVTENSKGYKLLPPYLRVIQGDGVDINTLQEIVEGMKQ
KMWSIENIAFGSGGGLLQKLTRDLLNCSFKCSYVVTNGLGINVFKDPVAD
PNKRSKKGRLSLHRTPAGNFVTLEEGKGDLEEYGQDLLHTVFKNGKVTKS
YSFDEIRKNAQLNI
Ligand information
Ligand ID
NMN
InChI
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
SMILES
Software
SMILES
CACTVS 3.341
NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0
c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)N
CACTVS 3.341
NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0
c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N
ACDLabs 10.04
O=C(c1ccc[n+](c1)C2OC(C(O)C2O)COP(=O)(O)O)N
Formula
C11 H16 N2 O8 P
Name
BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE;
NICOTINAMIDE MONONUCLEOTIDE
ChEMBL
DrugBank
ZINC
ZINC000004228273
PDB chain
3dhf Chain A Residue 503 [
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Receptor-Ligand Complex Structure
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PDB
3dhf
A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT.
Resolution
1.8 Å
Binding residue
(original residue number in PDB)
D16 Y18 R392
Binding residue
(residue number reindexed from 1)
D8 Y10 R372
Annotation score
3
Enzymatic activity
Enzyme Commision number
2.4.2.12
: nicotinamide phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0005125
cytokine activity
GO:0005515
protein binding
GO:0016757
glycosyltransferase activity
GO:0042802
identical protein binding
GO:0047280
nicotinamide phosphoribosyltransferase activity
Biological Process
GO:0007165
signal transduction
GO:0007267
cell-cell signaling
GO:0007623
circadian rhythm
GO:0008284
positive regulation of cell population proliferation
GO:0008286
insulin receptor signaling pathway
GO:0009435
NAD biosynthetic process
GO:0019363
pyridine nucleotide biosynthetic process
GO:0032922
circadian regulation of gene expression
GO:0034356
NAD biosynthesis via nicotinamide riboside salvage pathway
GO:0045944
positive regulation of transcription by RNA polymerase II
GO:0048511
rhythmic process
GO:0051770
positive regulation of nitric-oxide synthase biosynthetic process
GO:0060612
adipose tissue development
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
GO:0070062
extracellular exosome
View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:3dhf
,
PDBe:3dhf
,
PDBj:3dhf
PDBsum
3dhf
PubMed
19666527
UniProt
P43490
|NAMPT_HUMAN Nicotinamide phosphoribosyltransferase (Gene Name=NAMPT)
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