Structure of PDB 5g6s Chain H Binding Site BS02

Receptor Information
>5g6s Chain H (length=289) Species: 5062 (Aspergillus oryzae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKHIGIFGLGAMGTALAAKYLEHGYKTSVWNRTTAKAIPLVEQGAKLAST
ISEGVNANDLIIICLLNNQVVEDALRDALQTLPSKTIVNLTNGTPNQARK
LADFVTSHGARYIHGGIMAVPTMIGSPHAVLLYSGESLELFQSIESHLSL
LGMSKYLGTDAGSASLHDLALLSGMYGLFSGFLHAVALIKSGQDTSTTAT
GLLPLLTPWLSAMTGYLSSIAKQIDDGDYATQGSNLGMQLAGVENIIRAG
EEQRVSSQMILPIKALIEQAVGEGHGGEDLSALIEYFKV
Ligand information
Ligand IDRAU
InChIInChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
InChIKeyRUOKEQAAGRXIBM-GFCCVEGCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C#CCNC1CCc2c1cccc2
OpenEye OEToolkits 1.7.6C#CCN[C@@H]1CCc2c1cccc2
CACTVS 3.385C#CCN[C@@H]1CCc2ccccc12
CACTVS 3.385C#CCN[CH]1CCc2ccccc12
FormulaC12 H13 N
NameRASAGILINE
ChEMBLCHEMBL887
DrugBankDB01367
ZINCZINC000019875504
PDB chain5g6s Chain E Residue 400 [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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PDB5g6s A reductive aminase from Aspergillus oryzae.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		M214 S235 M239 Q240 G243
Binding residue
(residue number reindexed from 1)		M213 S234 M238 Q239 G242
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.-
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0050661 NADP binding

View graph for
Molecular Function
External links
PDB RCSB:5g6s, PDBe:5g6s, PDBj:5g6s
PDBsum5g6s
PubMed28937665
UniProtQ2TW47|REDAM_ASPOR NADPH-dependent reductive aminase (Gene Name=AO090010000708)

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