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4LVB

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
ChainGOidnamespacecontents
A0005125molecular_functioncytokine activity
A0005515molecular_functionprotein binding
A0005576cellular_componentextracellular region
A0005615cellular_componentextracellular space
A0005634cellular_componentnucleus
A0005737cellular_componentcytoplasm
A0005829cellular_componentcytosol
A0007165biological_processsignal transduction
A0007267biological_processcell-cell signaling
A0007623biological_processcircadian rhythm
A0008284biological_processpositive regulation of cell population proliferation
A0008286biological_processinsulin receptor signaling pathway
A0009435biological_processNAD biosynthetic process
A0016607cellular_componentnuclear speck
A0016757molecular_functionglycosyltransferase activity
A0019363biological_processpyridine nucleotide biosynthetic process
A0030054cellular_componentcell junction
A0032922biological_processcircadian regulation of gene expression
A0034356biological_processNAD biosynthesis via nicotinamide riboside salvage pathway
A0042802molecular_functionidentical protein binding
A0045944biological_processpositive regulation of transcription by RNA polymerase II
A0047280molecular_functionnicotinamide phosphoribosyltransferase activity
A0048511biological_processrhythmic process
A0051770biological_processpositive regulation of nitric-oxide synthase biosynthetic process
A0060612biological_processadipose tissue development
A0070062cellular_componentextracellular exosome
B0005125molecular_functioncytokine activity
B0005515molecular_functionprotein binding
B0005576cellular_componentextracellular region
B0005615cellular_componentextracellular space
B0005634cellular_componentnucleus
B0005737cellular_componentcytoplasm
B0005829cellular_componentcytosol
B0007165biological_processsignal transduction
B0007267biological_processcell-cell signaling
B0007623biological_processcircadian rhythm
B0008284biological_processpositive regulation of cell population proliferation
B0008286biological_processinsulin receptor signaling pathway
B0009435biological_processNAD biosynthetic process
B0016607cellular_componentnuclear speck
B0016757molecular_functionglycosyltransferase activity
B0019363biological_processpyridine nucleotide biosynthetic process
B0030054cellular_componentcell junction
B0032922biological_processcircadian regulation of gene expression
B0034356biological_processNAD biosynthesis via nicotinamide riboside salvage pathway
B0042802molecular_functionidentical protein binding
B0045944biological_processpositive regulation of transcription by RNA polymerase II
B0047280molecular_functionnicotinamide phosphoribosyltransferase activity
B0048511biological_processrhythmic process
B0051770biological_processpositive regulation of nitric-oxide synthase biosynthetic process
B0060612biological_processadipose tissue development
B0070062cellular_componentextracellular exosome
Functional Information from PDB Data
site_idAC1
Number of Residues12
DetailsBINDING SITE FOR RESIDUE 20N A 601
ChainResidue
AHIS191
AHOH793
AHOH805
AHOH851
APHE193
AALA244
AALA245
ASER275
AILE309
AARG311
AILE351
AALA379

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PO4 A 602
ChainResidue
AARG392
ASER398
ALYS400
AHOH764
AHOH816
BARG196

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 603
ChainResidue
APHE123
AVAL124
AARG434
AASN479
AHOH850

site_idAC4
Number of Residues12
DetailsBINDING SITE FOR RESIDUE 20N B 601
ChainResidue
ATYR18
BHIS191
BPHE193
BALA244
BALA245
BSER275
BARG311
BILE351
BALA379
BHOH733
BHOH770
BHOH1049

site_idAC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE PO4 B 602
ChainResidue
AARG196
BARG392
BSER398
BLYS400
BHOH724
BHOH881
BHOH1081
BHOH1174

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO B 603
ChainResidue
AARG392
AHOH1043
BGLY383
BGLY384
BHOH806
BHOH866
BHOH1182

site_idAC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO B 604
ChainResidue
AGLY384
BARG392
BHOH820

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues14
DetailsBINDING:
ChainResidueDetails
AARG196
BHIS247
BARG311
BGLY353
BGLY384
BARG392
AASP219
AHIS247
AARG311
AGLY353
AGLY384
AARG392
BARG196
BASP219

site_idSWS_FT_FI2
Number of Residues2
DetailsMOD_RES: N-acetylmethionine => ECO:0007744|PubMed:22223895
ChainResidueDetails
AMET1
BMET1

site_idSWS_FT_FI3
Number of Residues2
DetailsMOD_RES: Phosphotyrosine => ECO:0007744|PubMed:15592455
ChainResidueDetails
ATYR188
BTYR188

site_idSWS_FT_FI4
Number of Residues2
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163
ChainResidueDetails
ASER472
BSER472

219140

PDB entries from 2024-05-01

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