Structure of PDB 2ar8 Chain A

Receptor sequence

>2ar8A (length=517) Species: 294 (Pseudomonas fluorescens)

NKPIKNIVIVGGGTAGWMAASYLVRALQQQANITLIESAAIPRIGVGEAT
IPSLQKVFFDFLGIPEREWMPQVNGAFKAAIKFVNWRKSPDPSRDDHFYH
LFGNVPNCDGVPLTHYWLRKREQGFQQPMEYACYPQPGALDGKLAPCLSD
GTRQMSHAWHFDAHLVADFLKRWAVERGVNRVVDEVVDVRLNNRGYISNL
LTKEGRTLEADLFIDCSGMRGLLINQALKEPFIDMSDYLLCDSAVASAVP
NDDARDGVEPYTSSIAMNSGWTWKIPMLGRFGSGYVFSSHFTSRDQATAD
FLKLWGLSDNQPLNQIKFRVGRNKRAWVNNCVSIGLSSCFLEPLESTGIY
FIYAALYQLVKHFPDTSFDPRLSDAFNAEIVHMFDDCRDFVQAHYFTTSR
DDTPFWLANRHDLRLSDAIKEKVQRYKAGLPLTTTSFDDSTYYETFDYEF
KNFWLNGNYYCIFAGLGMLPDRSLPLLQHRPESIEKAEAMFASIRREAER
LRTSLPTNYDYLRSLRD

3D structure

• PDB: 2ar8 Tryptophan 7-halogenase (PrnA) structure suggests a mechanism for regioselective chlorination.
• Chain: A
• Resolution: 2.2 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): K79 E346
• Catalytic site (residue number reindexed from 1): K78 E345
• Enzyme Commision number: 1.14.19.9: tryptophan 7-halogenase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	CTE	A	I52 K79 I82 H101 L102 F103 E346 S347 Y443 Y444 E450 F454 W455	I51 K78 I81 H100 L101 F102 E345 S346 Y442 Y443 E449 F453 W454
BS02	FAD	A	G12 G13 G14 T15 A16 S39 I42 R44 I45 V47 E49 A50 E186 V187 C217 S218 G219 L223 W274 G336 L337 F341 P344 I350	G11 G12 G13 T14 A15 S38 I41 R43 I44 V46 E48 A49 E185 V186 C216 S217 G218 L222 W273 G335 L336 F340 P343 I349

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0003824 catalytic activity
• GO:0004497 monooxygenase activity
• GO:0016491 oxidoreductase activity

Biological Process

• GO:0017000 antibiotic biosynthetic process

External links

• PDB: RCSB:2ar8, PDBe:2ar8, PDBj:2ar8
• PDBsum: 2ar8
• PubMed: 16195462
• UniProt: P95480|TRP7H_PSEFL Tryptophan 7-halogenase PrnA (Gene Name=prnA)