Structure of PDB 5lfo Chain A Binding Site BS02

Receptor Information
>5lfo Chain A (length=469) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPRVLVVGSGIAGLGAAQKLCSHRAAPHLRVLEATASAGGRIRSERCFGG
VVELGAHWIHGPSQDNPVFQLAAEFGLLGEKELSEENQLVPSMIWSSSGT
SVSLELMTEMARLFYGLIERTREFLASVGEFLKKEISQQVASWTEDDEDT
RKRKLAILNTFFNIECCVSGTHSMDLVALAPFGEYTVLPGLDCILAGGYQ
GLTDRILASLPKDTVAFDKPVKTIHWNGSFQEAAFPGETFPVLVECEDGA
RLPAHHVIVTVPLGFLKEHQDTFFEPPLPAKKAEAIKKLGFGTNNKIFLE
FEEPFWEPDCQFIQVVWEDTSPLQDTALSLQDTWFKKLIGFLVQPHVLCG
FIAGLESEFMETLSDEEVLLSLTQVLRRVTGNPQLPAAKSVRRSQWHSAP
YTRGSYSYVAVGSTGDDLDLMAQPLPGLQVLFAGEATHRTFYSTTHGALL
SGWREADRLVSLWDSQVEQ
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 chain5lfo Chain A Residue 1802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5lfo The Structure of Murine N(1)-Acetylspermine Oxidase Reveals Molecular Details of Vertebrate Polyamine Catabolism.
Resolution1.66 Å
Binding residue
(original residue number in PDB)		W62 H64 V187 F201 Y204 F375 Y430 S473
Binding residue
(residue number reindexed from 1)		W58 H60 V168 F182 Y185 F351 Y406 S443
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H64
Catalytic site (residue number reindexed from 1) H60
Enzyme Commision number 1.5.3.13: N(1)-acetylpolyamine oxidase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:5lfo, PDBe:5lfo, PDBj:5lfo
PDBsum5lfo
PubMed28029774
UniProtQ8C0L6|PAOX_MOUSE Peroxisomal N(1)-acetyl-spermine/spermidine oxidase (Gene Name=Paox)

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