Structure of PDB 6fw9 Chain A Binding Site BS02

Receptor Information
>6fw9 Chain A (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 IDFT6
InChIInChI=1S/C11H11FN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1
InChIKeyYMEXGEAJNZRQEH-VIFPVBQESA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(O)=O
ACDLabs 10.04O=C(O)C(N)Cc2c1ccc(F)cc1nc2
OpenEye OEToolkits 1.5.0c1cc2c(cc1F)[nH]cc2CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1c[nH]c2cc(F)ccc12)C(O)=O
OpenEye OEToolkits 1.5.0c1cc2c(cc1F)[nH]cc2C[C@@H](C(=O)O)N
FormulaC11 H11 F N2 O2
Name6-FLUORO-L-TRYPTOPHAN;
(S)-2-AMINO-3-(6-FLUORO-1H-INDOL-3-YL)PROPANOIC ACID
ChEMBL
DrugBank
ZINCZINC000000056393
PDB chain6fw9 Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6fw9 A GenoChemetic strategy for derivatization of the violacein natural product scaffold
Resolution2.739 Å
Binding residue
(original residue number in PDB)		R64 Y143 I159 H163 Y309 V363 W397
Binding residue
(residue number reindexed from 1)		R63 Y142 I158 H162 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
View graph for
Biological Process
External links
PDB RCSB:6fw9, PDBe:6fw9, PDBj:6fw9
PDBsum6fw9
PubMed
UniProtQ9S3V1|VIOA_CHRVO Flavin-dependent L-tryptophan oxidase VioA (Gene Name=vioA)

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