Structure of PDB 3cnp Chain A Binding Site BS02

Receptor Information
>3cnp Chain A (length=493) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPAKKKVIIIGAGIAGLKAASTLHQNGIQDCLVLEARDRVGGRLQTVTGY
QGRKYDIGASWHHDTLTNPLFLEEAQLSLNDGRTRFVFDDDNFIYIDEER
GRVDHDKELLLEIVDNEMSKFAELEFHQHLGVSDCSFFQLVMKYLLQRRQ
FLTNDQIRYLPQLCRYLELWHGLDWKLLSAKDTYFGHQGRNAFALNYDSV
VQRIAQSFPQNWLKLSCEVKSITREPSKNVTVNCEDGTVYNADYVIITVP
QSVLNLSVQPEKNLRGRIEFQPPLKPVIQDAFDKIHFGALGKVIFEFEEC
CWSNESSKIVTLANSTNEFVEIVRNAENLDELDSMLERTSVTCWSQPLFF
VNLSKSTGVASFMMLMQAPLTNHIESIREDKERLFSFFQPVLNKIMKCLD
SEDVIDGMRANKPVLRNIIVSNWTRDPYSRGAYSACFPGDDPVDMVVAMS
NGQDSRIRFAGEHTIMDGAGCAYGAWESGRREATRISDLLKLE
Ligand information
Ligand IDSP7
InChIInChI=1S/C10H23N3O/c1-9(13-10(2)14)5-8-12-7-4-3-6-11/h9,12H,3-8,11H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyNCHUZACAGJBRLA-VIFPVBQESA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[CH](CCNCCCCN)NC(C)=O
OpenEye OEToolkits 1.5.0C[C@@H](CCNCCCCN)NC(=O)C
OpenEye OEToolkits 1.5.0CC(CCNCCCCN)NC(=O)C
CACTVS 3.341C[C@@H](CCNCCCCN)NC(C)=O
ACDLabs 10.04O=C(NC(CCNCCCCN)C)C
FormulaC10 H23 N3 O
NameN-{(1S)-3-[(4-aminobutyl)amino]-1-methylpropyl}acetamide;
S-N1-AcMeSpermidine
ChEMBL
DrugBank
ZINC
PDB chain3cnp Chain A Residue 518 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3cnp Crystal structure of fms1 in complex with S-N1-AcMeSpermidine
Resolution2.5 Å
Binding residue
(original residue number in PDB)		W65 H67 L173 W174 H175 L375 Y450 A486 G487 C488
Binding residue
(residue number reindexed from 1)		W61 H63 L169 W170 H171 L365 Y433 A469 G470 C471
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) H67
Catalytic site (residue number reindexed from 1) H63
Enzyme Commision number 1.5.3.17: non-specific polyamine oxidase.
Gene Ontology
Molecular Function
GO:0003682 chromatin binding
GO:0016491 oxidoreductase activity
GO:0046592 polyamine oxidase activity
GO:0050660 flavin adenine dinucleotide binding
GO:0052897 N8-acetylspermidine:oxygen oxidoreductase (propane-1,3-diamine-forming) activity
GO:0052901 spermine oxidase activity
GO:0052903 N(1)-acetylpolyamine oxidase (3-acetamidopropanal-forming) activity
Biological Process
GO:0006338 chromatin remodeling
GO:0015940 pantothenate biosynthetic process
GO:0046208 spermine catabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3cnp, PDBe:3cnp, PDBj:3cnp
PDBsum3cnp
PubMed
UniProtP50264|FMS1_YEAST Polyamine oxidase FMS1 (Gene Name=FMS1)

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