Structure of PDB 5mbx Chain A Binding Site BS02

Receptor Information
>5mbx Chain A (length=472) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPRVLVVGSGIAGLGAAQKLCSAPHLRVLEATASAGGRIRSERCFGGVVE
LGAHWIHGPSQDNPVFQLAAEFGLLGEKELSEENQLVSMIWSSSGTSVSL
ELMTEMARLFYGLIERTREFLNESETPMASVGEFLKKEISQQVASWTRKR
KLAILNTFFNIECCVSGTHSMDLVALAPFGEYTVLPGLDCILAGGYQGLT
DRILASLPKDTVAFDKPVKTIHWNGSFQEAAFPGETFPVLVECEDGARLP
AHHVIVTVPLGFLKEHQDTFFEPPLPAKKAEAIKKLGFGTNNKIFLEFEE
PFWEPDCQFIQVVWEDTSPLQDTALSLQDTWFKKLIGFLVQPSHVLCGFI
AGLESEFMETLSDEEVLLSLTQVLRRVTGNPQLPAAKSVRRSQWHSAPYT
RGSYSYVAVGSTGDDLDLMAQPLPGLQVLFAGEATHRTFYSTTHGALLSG
WREADRLVSLWDSQVEQSRPRL
Ligand information
Ligand IDSP5
InChIInChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17)
InChIKeyGUNURVWAJRRUAV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(NCCCNCCCCNCCCN)C
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC(=O)NCCCNCCCCNCCCN
FormulaC12 H28 N4 O
NameN-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide;
N1-AcSpermine
ChEMBLCHEMBL131004
DrugBank
ZINCZINC000003870097
PDB chain5mbx Chain A Residue 1802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5mbx The Structure of Murine N(1)-Acetylspermine Oxidase Reveals Molecular Details of Vertebrate Polyamine Catabolism.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		H64 V187 F201 Y204 F375 Y430 S473
Binding residue
(residue number reindexed from 1)		H57 V165 F179 Y182 F349 Y404 S441
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H64
Catalytic site (residue number reindexed from 1) H57
Enzyme Commision number 1.5.3.13: N(1)-acetylpolyamine oxidase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046592 polyamine oxidase activity
GO:0052901 spermine oxidase activity
GO:0052903 N(1)-acetylpolyamine oxidase (3-acetamidopropanal-forming) activity
Biological Process
GO:0006598 polyamine catabolic process
GO:0008215 spermine metabolic process
GO:0009446 putrescine biosynthetic process
GO:0009447 putrescine catabolic process
GO:0046203 spermidine catabolic process
GO:0046208 spermine catabolic process
GO:1901307 positive regulation of spermidine biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005777 peroxisome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5mbx, PDBe:5mbx, PDBj:5mbx
PDBsum5mbx
PubMed28029774
UniProtQ8C0L6|PAOX_MOUSE Peroxisomal N(1)-acetyl-spermine/spermidine oxidase (Gene Name=Paox)

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