Structure of PDB 2vvm Chain A Binding Site BS02

Receptor Information
>2vvm Chain A (length=481) Species: 5061 (Aspergillus niger) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTSRDGYQWTPETGLTQGVPSLGVISPPTNIGPWDVIVIGGGYCGLTATR
DLTVAGFKTLLLEARDRIGGRSWSSNIDGYPYEMGGTWVHWHQSHVWREI
TRYKMHNALSPSFNFSRGVNHFQLRTNPTTSTYMTHEAEDELLRSALHKF
TNVDGTNGRTVLPFPHDMFYVPEFRKYDEMSYSERIDQIRDELSLNERSS
LEAFILLCSGGTLENSSFGEFLHWWAMSGYTYQGCMDCLMSYKFKDGQSA
FARRFWEEAAGTGRLGYVFGCPVRSVVNERDAARVTARDGREFVAKRVVC
TIPLNVLSTIQFSPALSTERISAMQAGHVSMCTKVHAEVDNKDMRSWTGI
AYPFNKLCYAIGDGTTPAGNTHLVCFGNSANHIQPDEDVRETLKAVGQLA
PGTFGVKRLVFHNWVKDEFAKGAWFFSRPGMVSECLQGLREKHGGVVFAN
SDWALGWRSFIDGAIEEGTRAARVVLEELGT
Ligand information
Ligand IDPRO
InChIInChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKeyONIBWKKTOPOVIA-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C[C@H](NC1)C(=O)O
CACTVS 3.341OC(=O)[C@@H]1CCCN1
CACTVS 3.341OC(=O)[CH]1CCCN1
OpenEye OEToolkits 1.5.0C1CC(NC1)C(=O)O
ACDLabs 10.04O=C(O)C1NCCC1
FormulaC5 H9 N O2
NamePROLINE
ChEMBLCHEMBL54922
DrugBankDB00172
ZINCZINC000000895360
PDB chain2vvm Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2vvm The Structure of Monoamine Oxidase from Aspergillus Niger Provides a Molecular Context for Improvements in Activity Obtained by Directed Evolution.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		W94 L213 F382 W430
Binding residue
(residue number reindexed from 1)		W88 L207 F376 W424
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H96
Catalytic site (residue number reindexed from 1) H90
Enzyme Commision number 1.4.3.4: monoamine oxidase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0097621 monoamine oxidase activity
Cellular Component
GO:0005777 peroxisome

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:2vvm, PDBe:2vvm, PDBj:2vvm
PDBsum2vvm
PubMed18951902
UniProtP46882|AOFN_ASPNG Monoamine oxidase N (Gene Name=maoN)

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