Structure of PDB 3bi4 Chain A Binding Site BS02

Receptor Information
>3bi4 Chain A (length=497) 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
CWSNESSKIVTLANSTNEFVEIVRNAENLDELDSMLERETSVTCWSQPLF
FVNLSKSTGVASFMMLMQAPLTNHIESIREDKERLFSFFQPVLNKIMKCL
DSEDVIDGMRANKPVLRNIIVSNWTRDPYSRGAYSACFPGDDPVDMVVAM
SNGQDSRIRFAGEHTIMDGAGCAYGAWESGRREATRISDLLKLEHHH
Ligand information
Ligand ID298
InChIInChI=1S/C12H20N2/c1-3-5-9-13-11-7-8-12-14-10-6-4-2/h3-6,9-10H,7-8,11-12H2,1-2H3/b5-3-,6-4+,13-9+,14-10?
InChIKeyGWPFNFBITHRYML-AQVGAVBMSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C\C=C\C=NCCCCN=C\C=C/C
ACDLabs 10.04N(=C\C=C\C)\CCCC/N=C/C=C\C
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC=CC=NCCCCN=CC=CC
OpenEye OEToolkits 1.5.0C\C=C\C=NCCCC/N=C/C=C\C
FormulaC12 H20 N2
NameN-[(1E,2Z)-but-2-en-1-ylidene]-N'-[(2E)-but-2-en-1-ylidene]butane-1,4-diamine
ChEMBL
DrugBank
ZINC
PDB chain3bi4 Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3bi4 Crystal structures of fms1 in complex with its inhibitors
Resolution2.2 Å
Binding residue
(original residue number in PDB)		W65 H67 L173 F189 L375 Y450 A486 G487
Binding residue
(residue number reindexed from 1)		W61 H63 L169 F185 L366 Y434 A470 G471
Annotation score1
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:3bi4, PDBe:3bi4, PDBj:3bi4
PDBsum3bi4
PubMed
UniProtP50264|FMS1_YEAST Polyamine oxidase FMS1 (Gene Name=FMS1)

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