Structure of PDB 4d04 Chain A

Receptor sequence

>4d04A (length=532) Species: 2021 (Thermobifida fusca)

RQPPEEVDVLVVGAGFSGLYALYRLRELGRSVHVIETAGDVGGVWYWNRY
PGARDDIESIEYCYSFSEEVLQEWNWTERYASQPEILRYINFVADKFDLR
SGITFHTTVTAAAFDEATNTWTVDTNHGDRIRARYLIMASGQLSVPQLPN
FPGLKDFAGNLYHTGNWPHEPVDFSGQRVGVIGTGSSGIQVSPQIAKQAA
ELFVFQRTPHFAVPARNAPLDPEFLADLKKRYAEFREESRNTPGGTHRYQ
GPKSALEVSDEELVETLERYWQEGGPDILAAYRDILRDRDANERVAEFIR
NKIRNTVRDPEVAERLVPKGYPFGTKRLILEIDYYEMFNRDNVHLVDTLS
APIETITPRGVRTSEREYELDSLVLATGFDALTGALFKIDIRGVGNVALK
EKWAAGPRTYLGLSTAGFPNLFFIAGPGSPSALSNMLVSIEQHVEWVTDH
IAYMFKNGLTRSEAVLEKEDEWVEHVNEIADETLYPMTASWYTGANVPGK
PRVFMLYVGGFHRYRQICDEVAAKGYEGFVLT

3D structure

• PDB: 4d04 Finding the Switch: Turning a Baeyer-Villiger Monooxygenase Into a Nadph Oxidase.
• Chain: A
• Resolution: 1.75 Å

Enzymatic activity

• Enzyme Commision number: 1.14.13.92: phenylacetone monooxygenase.

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	FAD	A	V22 G23 G25 S27 E46 T47 G53 V54 W55 W57 N58 D65 Y72 T118 V119 S150 G151 Q152 L153 I399 M446 I450	V12 G13 G15 S17 E36 T37 G43 V44 W45 W47 N48 D55 Y62 T108 V109 S140 G141 Q142 L143 I389 M436 I440
BS02	NAP	A	Y60 R64 D65 D66 L153 P159 F161 G193 T194 G195 S196 S197 Q200 R217 T218 H220 R337 A386 T387 G388 W501	Y50 R54 D55 D56 L143 P149 F151 G183 T184 G185 S186 S187 Q190 R207 T208 H210 R327 A376 T377 G378 W491

Gene Ontology

Molecular Function

• GO:0004497 monooxygenase activity
• GO:0016709 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen
• GO:0033776 phenylacetone monooxygenase activity

External links

• PDB: RCSB:4d04, PDBe:4d04, PDBj:4d04
• PDBsum: 4d04
• PubMed: 25423359
• UniProt: Q47PU3|PAMO_THEFY Phenylacetone monooxygenase (Gene Name=pamO)