Structure of PDB 6fw7 Chain B Binding Site BS02

Receptor Information
>6fw7 Chain B (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]
KHSSDICIVGAGISGLTCASHLLDSPACRGLSLRIFDMQQEAGGRIRSKM
LDGKASIELGAGRYSPQLHPHFQSAMQHYSQKSEVYPFTQLKFKSHVQQK
LKRAMNELSPRLKEHGKESFLQFVSRYQGHDSAVGMIRSMGYDALFLPDI
SAEMAYDIVGKHPEIQSVTDNDANQWFAAETGFAGLIQGIKAKVKAAGAR
FSLGYRLLSVRTDGDGYLLQLAGDDGWKLEHRTRHLILAIPPSAMAGLNV
DFPEAWSGARYGSLPLFKGFLTYGEPWWLDYKLDDQVLIVDNPLRKIYFK
GDKYLFFYTDSEMANYWRGCVAEGEDGYLEQIRTHLASALGIVRERIPQP
LAHVHKYWAHGVEFCRDDHPSALSHRDSGIIACSDAYTEHCGWMEGGLLS
AREASRLLLQRIAA
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 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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PDB6fw7 A semi-synthetic strategy for derivatization of the violacein natural product scaffold
Resolution3.0 Å
Binding residue
(original residue number in PDB)		R64 H163 Y309
Binding residue
(residue number reindexed from 1)		R63 H162 Y308
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

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Molecular Function
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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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