Structure of PDB 2v7l Chain A Binding Site BS02

Receptor Information
>2v7l Chain A (length=344) Species: 294 (Pseudomonas fluorescens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLDRVGVFAATHAAVAASDPLQARALVLQLPGLNRNKDVPGIVGLLREFL
PVRGLPSGWGFVEAAAAMRDIGFFLGSLKRHGHEPAEVVPGLEPVLLDLA
RATNLPPRETLLHVTVWNPTAADAQRSYTGLPDEAHLLESVRISMAALEA
AIALTVELFDVSLRSPEFAQRSDELEAYLQKMVESIVYAYRFISPQVFYD
ELRPFYEPIRVGGQSYLGPGAVEMPLFVLEHVLWGSQSDDQTYREFKETY
LPYVLPAYRAVYARFSGEPALIDRALDEARAVGTRDEHVRAGLTALERVF
KVLLRFRAPHLKLAERAYEVAPSMLGELLTLTYAARSRVRAALD
Ligand information
Ligand IDCTE
InChIInChI=1S/C11H11ClN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,9,14H,4,13H2,(H,15,16)/t9-/m0/s1
InChIKeyDMQFGLHRDFQKNR-VIFPVBQESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc2c(c[nH]c2c(c1)Cl)C[C@@H](C(=O)O)N
CACTVS 3.352N[C@@H](Cc1c[nH]c2c(Cl)cccc12)C(O)=O
OpenEye OEToolkits 1.7.0c1cc2c(c[nH]c2c(c1)Cl)CC(C(=O)O)N
CACTVS 3.352N[CH](Cc1c[nH]c2c(Cl)cccc12)C(O)=O
ACDLabs 10.04O=C(O)C(N)Cc2c1cccc(Cl)c1nc2
FormulaC11 H11 Cl N2 O2
Name7-CHLOROTRYPTOPHAN
ChEMBL
DrugBank
ZINCZINC000013386795
PDB chain2v7l Chain A Residue 1361 [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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PDB2v7l The Second Enzyme in Pyrrolnitrin Biosynthetic Pathway is Related to the Heme-Dependent Dioxygenase Superfamily.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		L140 V144 F201 Y209 G223 A224 V225
Binding residue
(residue number reindexed from 1)		L137 V141 F198 Y206 G220 A221 V222
Annotation score5
Enzymatic activity
Enzyme Commision number 1.14.19.-
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0017000 antibiotic biosynthetic process
GO:0019441 tryptophan catabolic process to kynurenine

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2v7l, PDBe:2v7l, PDBj:2v7l
PDBsum2v7l
PubMed17924666
UniProtP95481|PRNB_PSEFL Monodechloroaminopyrrolnitrin synthase PrnB (Gene Name=prnB)

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