Structure of PDB 5lfo Chain A Binding Site BS01

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 IDFAD
InChIInChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1
InChIKeyVWWQXMAJTJZDQX-UYBVJOGSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)c2cc1C
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O
CACTVS 3.341Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2cc1C
ACDLabs 10.04O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C
FormulaC27 H33 N9 O15 P2
NameFLAVIN-ADENINE DINUCLEOTIDE
ChEMBLCHEMBL1232653
DrugBankDB03147
ZINCZINC000008215434
PDB chain5lfo Chain A Residue 1801 [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)		V11 G12 G14 I15 A16 L36 E37 A38 G44 R45 G59 A60 H61 W62 H64 V240 V280 P281 W420 Y425 S429 Y430 G464 E465 S473 T474 T475 A478
Binding residue
(residue number reindexed from 1)		V7 G8 G10 I11 A12 L32 E33 A34 G40 R41 G55 A56 H57 W58 H60 V221 V261 P262 W396 Y401 S405 Y406 G434 E435 S443 T444 T445 A448
Annotation score1
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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