Structure of PDB 6fw7 Chain A Binding Site BS02

Receptor Information
>6fw7 Chain A (length=413) 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
LAHVHKYWAHGVEFCRDHPSALSHRDSGIIACSDAYTEHCGWMEGGLLSA
REASRLLLQRIAA
Ligand information
Ligand ID4FW
InChIInChI=1S/C11H11FN2O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,13H2,(H,15,16)/t8-/m0/s1
InChIKeyDEBQMEYEKKWIKC-QMMMGPOBSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc2c1c(F)cccc1nc2
OpenEye OEToolkits 1.5.0c1cc2c(c(c1)F)c(c[nH]2)CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1c[nH]c2cccc(F)c12)C(O)=O
OpenEye OEToolkits 1.5.0c1cc2c(c(c1)F)c(c[nH]2)C[C@@H](C(=O)O)N
CACTVS 3.341N[C@@H](Cc1c[nH]c2cccc(F)c12)C(O)=O
FormulaC11 H11 F N2 O2
Name4-FLUOROTRYPTOPHANE
ChEMBL
DrugBankDB03386
ZINCZINC000000057328
PDB chain6fw7 Chain A 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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PDB6fw7 A semi-synthetic strategy for derivatization of the violacein natural product scaffold
Resolution3.0 Å
Binding residue
(original residue number in PDB)		R64 Y143 H163 L265 Y309 V363
Binding residue
(residue number reindexed from 1)		R63 Y142 H162 L264 Y308 V362
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:6fw7, PDBe:6fw7, PDBj:6fw7
PDBsum6fw7
PubMed
UniProtQ9S3V1|VIOA_CHRVO Flavin-dependent L-tryptophan oxidase VioA (Gene Name=vioA)

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