Structure of PDB 5zbd Chain A Binding Site BS01

Receptor Information
>5zbd Chain A (length=414) Species: 243365 (Chromobacterium violaceum ATCC 12472) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSDICIVGAGISGLTCASHLLDSPACRGLSLRIFDMQQEAGGRIRSKMLD
GKASIELGAGRYSPQLHPHFQSAMQHYSQKSEVYPFTQLKFKSHVQQKLK
RAMNELSPRLKEHGKESFLQFVSRYQGHDSAVGMIRSMGYDALFLPDISA
EMAYDIVGKHPEIQSVTDNDANQWFAAETGFAGLIQGIKAKVKAAGARFS
LGYRLLSVRTDGDGYLLQLAGDDGWKLEHRTRHLILAIPPSAMAGLNVDF
PEAWSGARYGSLPLFKGFLTYGEPWWLDYKLDDQVLIVDNPLRKIYFKGD
KYLFFYTDSEMANYWRGCVAEGEDGYLEQIRTHLASALGIVRERIPQPLA
HVHKYWAHGVEFCRDSDIDHPSALSHRDSGIIACSDAYTEHAGWMEGGLL
SAREASRLLLQRIA
Ligand information
Ligand IDTRP
InChIInChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
InChIKeyQIVBCDIJIAJPQS-VIFPVBQESA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc2c1ccccc1nc2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1c[nH]c2ccccc12)C(O)=O
CACTVS 3.341N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
FormulaC11 H12 N2 O2
NameTRYPTOPHAN
ChEMBLCHEMBL54976
DrugBankDB00150
ZINCZINC000000083315
PDB chain5zbd Chain A Residue 501 [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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PDB5zbd Protein engineering for improving the thermostability of tryptophan oxidase and insights from structural analysis.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		R71 Y150 H170 Y316 D318 V370 G403 W404
Binding residue
(residue number reindexed from 1)		R61 Y140 H160 Y306 D308 V360 G393 W394
Annotation score5
Enzymatic activity
Enzyme Commision number 1.4.3.23: 7-chloro-L-tryptophan oxidase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0017000 antibiotic biosynthetic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:5zbd, PDBe:5zbd, PDBj:5zbd
PDBsum5zbd
PubMed30053101
UniProtQ9S3V1|VIOA_CHRVO Flavin-dependent L-tryptophan oxidase VioA (Gene Name=vioA)

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