Structure of PDB 6fwa Chain B Binding Site BS02

Receptor Information
>6fwa Chain B (length=417) Species: 243365 (Chromobacterium violaceum ATCC 12472) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KHSSDICIVGAGISGLTCASHLLDSPACRGLSLRIFDMQQEAGGRIRSKM
LDGKASIELGAGRYSPQLHPHFQSAMQHYSQKSEVYPFTQLKFKSHVQQK
LKRAMNELSPRLKEHGKESFLQFVSRYQGHDSAVGMIRSMGYDALFLPDI
SAEMAYDIVGKHPEIQSVTDNDANQWFAAETGFAGLIQGIKAKVKAAGAR
FSLGYRLLSVRTDGDGYLLQLAGDDGWKLEHRTRHLILAIPPSAMAGLNV
DFPEAWSGARYGSLPLFKGFLTYGEPWWLDYKLDDQVLIVDNPLRKIYFK
GDKYLFFYTDSEMANYWRGCVAEGEDGYLEQIRTHLASALGIVRERIPQP
LAHVHKYWAHGVEFCRDSDIDHPSALSHRDSGIIACSDAYTEHCGWMEGG
LLSAREASRLLLQRIAA
Ligand information
Ligand IDE95
InChIInChI=1S/C12H14N2O2/c1-7-3-2-4-9-8(6-14-11(7)9)5-10(13)12(15)16/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyKBOZNJNHBBROHM-JTQLQIEISA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1cccc2c(C[C@H](N)C(O)=O)c[nH]c12
OpenEye OEToolkits 2.0.6Cc1cccc2c1[nH]cc2CC(C(=O)O)N
CACTVS 3.385Cc1cccc2c(C[CH](N)C(O)=O)c[nH]c12
OpenEye OEToolkits 2.0.6Cc1cccc2c1[nH]cc2C[C@@H](C(=O)O)N
FormulaC12 H14 N2 O2
Name7-Methyl-L-Tryptophan
ChEMBL
DrugBank
ZINCZINC000000403081
PDB chain6fwa Chain B Residue 502 [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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PDB6fwa A GenoChemetic strategy for derivatization of the violacein natural product scaffold
Resolution2.846 Å
Binding residue
(original residue number in PDB)		R64 Y143 A145 H163 L265 Y309 V363 W397
Binding residue
(residue number reindexed from 1)		R63 Y142 A144 H162 L264 Y308 V362 W396
Annotation score3
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:6fwa, PDBe:6fwa, PDBj:6fwa
PDBsum6fwa
PubMed
UniProtQ9S3V1|VIOA_CHRVO Flavin-dependent L-tryptophan oxidase VioA (Gene Name=vioA)

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