Structure of PDB 6g2p Chain B Binding Site BS02

Receptor Information
>6g2p 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 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 chain6g2p 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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PDB6g2p A semi-synthetic strategy for derivatization of the violacein natural product scaffold
Resolution2.6 Å
Binding residue
(original residue number in PDB)		R64 H163 Y309 V363 W397
Binding residue
(residue number reindexed from 1)		R63 H162 Y308 V362 W393
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

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Molecular Function
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Biological Process
External links
PDB RCSB:6g2p, PDBe:6g2p, PDBj:6g2p
PDBsum6g2p
PubMed
UniProtQ9S3V1|VIOA_CHRVO Flavin-dependent L-tryptophan oxidase VioA (Gene Name=vioA)

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