Structure of PDB 2v7j Chain A Binding Site BS01

Receptor Information

>2v7j Chain A (length=343) Species: 294 (Pseudomonas fluorescens)

TLDRVGVFAATHAAVAASDPLQARALVLQLPGLNRNKDVPGIVGLLREFL
PVRGLPSGWGFVEAAAAMRDIGFFLGSLKRHGHEPAEVVPGLEPVLLDLA
RATNLPPRETLLHVTVWNPTAADAQRSYTGLPDEAHLLESVRISMAALEA
AIALTVELFDVSLRSPEFAQRSDELEAYLQKMVESIVYAYRFISPQVFYD
ELRPFYEPIRVGGQSYLGPGAVEMPLFVLEHVLWGSQSDDQTYREFKETY
LPYVLPAYRAVYARFSGEPALIDRALDEARAVGTRDEHVRAGLTALERVF
KVLLRFRAPHLKLAERAYEVAPSMLGELLTLTYAARSRVRAAL

Ligand information

• Ligand ID: TRP
• InChI: InChI=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
• InChIKey: QIVBCDIJIAJPQS-VIFPVBQESA-N
• SMILES:
  ACDLabs 10.04: O=C(O)C(N)Cc2c1ccccc1nc2
  OpenEye OEToolkits 1.5.0: c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
  OpenEye OEToolkits 1.5.0: c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
  CACTVS 3.341: N[CH](Cc1c[nH]c2ccccc12)C(O)=O
  CACTVS 3.341: N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
• Formula: C11 H12 N2 O2
• Name: TRYPTOPHAN
• ChEMBL: CHEMBL54976
• DrugBank: DB00150
• ZINC: ZINC000000083315
• PDB chain: 2v7j Chain A Residue 1360

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2v7j The Second Enzyme in Pyrrolnitrin Biosynthetic Pathway is Related to the Heme-Dependent Dioxygenase Superfamily
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): L140 F201 Y209 P222 G223 A224 V225
• Binding residue (residue number reindexed from 1): L137 F198 Y206 P219 G220 A221 V222
• Annotation score: 3

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

External links

• PDB: RCSB:2v7j, PDBe:2v7j, PDBj:2v7j
• PDBsum: 2v7j
• PubMed: 17924666
• UniProt: P95481|PRNB_PSEFL Monodechloroaminopyrrolnitrin synthase PrnB (Gene Name=prnB)