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4N9D

Fragment-based Design of 3-Aminopyridine-derived Amides 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
A0016740molecular_functiontransferase activity
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
B0016740molecular_functiontransferase activity
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 Residues17
DetailsBINDING SITE FOR RESIDUE 2HJ A 601
ChainResidue
ATYR188
AILE309
AARG311
AHOH722
AHOH777
AHOH933
AHOH981
BASP16
BTYR18
AHIS191
APHE193
AARG196
AASP219
ASER241
AVAL242
AALA244
ASER275

site_idAC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE PO4 A 602
ChainResidue
AARG40
AARG392
ASER398
ALYS400
AHOH731
AHOH927
AHOH985
AHOH986
AHOH1001

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 603
ChainResidue
ALYS400
ACYS401
APHE414
BHIS247
BSER248
BTHR251
BHOH835

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 604
ChainResidue
AGLU187
AASN214
AARG477
AHOH1162

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 605
ChainResidue
APHE123
AVAL124
AARG434
AASN479
AHOH857
AHOH1119

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 606
ChainResidue
AHIS247
ASER248
ATHR251
AHOH821
BLYS400
BCYS401
BPHE414

site_idAC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 607
ChainResidue
AGLU246
AHIS247
AARG311
AHOH821
AHOH922
BTYR18
BHOH923

site_idAC8
Number of Residues17
DetailsBINDING SITE FOR RESIDUE 2HJ B 601
ChainResidue
AASP16
ATYR18
BTYR188
BHIS191
BPHE193
BARG196
BASP219
BSER241
BVAL242
BALA244
BSER275
BILE309
BARG311
BHOH795
BHOH834
BHOH937
BHOH1001

site_idAC9
Number of Residues10
DetailsBINDING SITE FOR RESIDUE PO4 B 602
ChainResidue
BARG392
BSER398
BLYS400
BHOH724
BHOH801
BHOH923
BHOH995
BHOH996
BHOH1212
BHOH1213

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO B 603
ChainResidue
ATYR18
ALYS400
BGLU246
BHIS247
BARG311
BHOH835
BHOH926

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

218853

PDB entries from 2024-04-24

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