Structure of PDB 3wgt Chain B Binding Site BS02

Receptor Information
>3wgt Chain B (length=339) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRVVVIGAGVIGLSTALCIHERYHSVLQPLDVKVYADRFTPFTTTDVAAG
LWQPYTSEPSNPQEANWNQQTFNYLLSHIGSPNAANMGLTPVSGYNLFRE
AVPDPYWKDMVLGFRKLTPRELDMFPDYRYGWFNTSLILEGRKYLQWLTE
RLTERGVKFFLRKVESFEEVARGGADVIINCTGVWAGVLQPDPLLQPGRG
QIIKVDAPWLKNFIITHDLERGIYNSPLIIPGLQAVTLGGTFQVGNWNEI
NNIQDHNTIWEGCCRLEPTLKDAKIVGEYTGFGPVRPQVRLEREQLRFGS
SNTEVIHNYGHGGYGLTIHWGCALEVAKLFGKVLEERNL
Ligand information
Ligand IDQSC
InChIInChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1
InChIKeyRQEUFEKYXDPUSK-SSDOTTSWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C[C@H](c1ccccc1)N
CACTVS 3.370C[CH](N)c1ccccc1
CACTVS 3.370C[C@@H](N)c1ccccc1
ACDLabs 12.01NC(c1ccccc1)C
OpenEye OEToolkits 1.7.6CC(c1ccccc1)N
FormulaC8 H11 N
Name(1R)-1-phenylethanamine
ChEMBLCHEMBL19969
DrugBank
ZINCZINC000006037146
PDB chain3wgt Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3wgt Tailoring D-amino acid oxidase from the pig kidney to R-stereoselective amine oxidase and its use in the deracemization of alpha-methylbenzylamine.
Resolution1.88 Å
Binding residue
(original residue number in PDB)		Y224 F242
Binding residue
(residue number reindexed from 1)		Y224 F242
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) L51 G313 T317
Catalytic site (residue number reindexed from 1) L51 G313 T317
Enzyme Commision number 1.4.3.3: D-amino-acid oxidase.
Gene Ontology
Molecular Function
GO:0003884 D-amino-acid oxidase activity
GO:0016491 oxidoreductase activity
GO:0071949 FAD binding
Biological Process
GO:0006562 proline catabolic process
GO:0007586 digestion
GO:0019478 D-amino acid catabolic process
GO:0036088 D-serine catabolic process
GO:0042416 dopamine biosynthetic process
GO:0046416 D-amino acid metabolic process
GO:0055130 D-alanine catabolic process
GO:0070945 neutrophil-mediated killing of gram-negative bacterium
Cellular Component
GO:0005576 extracellular region
GO:0005737 cytoplasm
GO:0005777 peroxisome
GO:0005782 peroxisomal matrix
GO:0005829 cytosol
GO:0042995 cell projection
GO:0045202 synapse
GO:0048786 presynaptic active zone

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3wgt, PDBe:3wgt, PDBj:3wgt
PDBsum3wgt
PubMed24644036
UniProtP00371|OXDA_PIG D-amino-acid oxidase (Gene Name=DAO)

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