Structure of PDB 3bi5 Chain A Binding Site BS02

Receptor Information
>3bi5 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 IDDIA
InChIInChI=1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2
InChIKeyPWGJDPKCLMLPJW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CCCCN)CCCN
ACDLabs 10.04
CACTVS 3.341		NCCCCCCCCN
FormulaC8 H20 N2
NameOCTANE 1,8-DIAMINE;
1,8-DIAMINOOCTANE;
OCTAMETHYLENEDIAMINE;
1,8-OCTANEDIAMINE
ChEMBLCHEMBL29392
DrugBankDB04333
ZINCZINC000001677582
PDB chain3bi5 Chain A Residue 2841 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3bi5 Crystal structures of fms1 in complex with its inhibitors
Resolution2.5 Å
Binding residue
(original residue number in PDB)		H67 F97 L173 W174 F359 Y450
Binding residue
(residue number reindexed from 1)		H63 F93 L169 W170 F350 Y434
Annotation score4
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:3bi5, PDBe:3bi5, PDBj:3bi5
PDBsum3bi5
PubMed
UniProtP50264|FMS1_YEAST Polyamine oxidase FMS1 (Gene Name=FMS1)

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