Structure of PDB 4ev5 Chain E Binding Site BS02

Receptor Information
>4ev5 Chain E (length=654) Species: 870730 (Ogataea angusta) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARPAHPLDPLSTAEIKAATNTVKSYFAGKKISFNTVTLREPARKAYIQWK
EQGGPLPPRLAYYVILEAGKPGVKEGLVDLASLSVIETRALETVQPILTV
EDLCSTEEVIRNDPAVIEQCVLSGIPANEMHKVYCDPWTIGYDERWGTGK
RLQQALVYYRSDEDDSQYSHPLDFCPIVDTEEKKVIFIDIPNRRRKVSKH
KHANFYPKHMIEKVGAMRPEAPPINVTQPEGVSFKMTGNVMEWSNFKFHI
GFNYREGIVLSDVSYNDHGNVRPIFHRISLSEMIVPYGSPEFPHQRKHAL
DIGEYGAGYMTNPLSLGCDCKGVIHYLDAHFSDRAGDPITVKNAVCIHEE
DDGLLFKHSDFRDNFATSLVTRATKLVVSQIFTAANYEYCLYWVFMQDGA
IRLDIRLTGILNTYILGDDEEAGPWGTRVYPNVNAHNHQHLFSLRIDPRI
DGDGNSAAACDAKSSPYPLGSPENMYGNAFYSEKTTFKTVKDSLTNYESA
TGRSWDIFNPNKVNPYSGKPPSYKLVSTQCPPLLAKEGSLVAKRAPWASH
SVNVVPYKDNRLYPSGDHVPQWSGDGVRGMREWIGDGSENIDNTDILFFH
TFGITHFPAPEDFPLMPAEPITLMLRPRHFFTENPGLDIQPSYAMTTSEA
KRAV
Ligand information
Ligand IDABN
InChIInChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
InChIKeyWGQKYBSKWIADBV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CN
ACDLabs 10.04
CACTVS 3.341		NCc1ccccc1
FormulaC7 H9 N
NameBENZYLAMINE
ChEMBLCHEMBL522
DrugBankDB02464
ZINCZINC000006096244
PDB chain4ev5 Chain E Residue 707 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ev5 Crystal structure of copper amine oxidase-1 from Hansenula polymorpha in complex with benzylamine
Resolution2.25 Å
Binding residue
(original residue number in PDB)		W156 A317 D319 Y323 A402 A403 Y405
Binding residue
(residue number reindexed from 1)		W138 A299 D301 Y305 A384 A385 Y387
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y305 D319 Y405 H456 H458 H624
Catalytic site (residue number reindexed from 1) Y287 D301 Y387 H438 H440 H606
Enzyme Commision number 1.4.3.21: primary-amine oxidase.
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0008131 primary methylamine oxidase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0048038 quinone binding
GO:0052595 aliphatic amine oxidase activity
Biological Process
GO:0009308 amine metabolic process
Cellular Component
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:4ev5, PDBe:4ev5, PDBj:4ev5
PDBsum4ev5
PubMed
UniProtP12807|AMO_PICAN Peroxisomal primary amine oxidase (Gene Name=AMO)

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