Structure of PDB 4aos Chain A

Receptor sequence

>4aosA (length=523) Species: 1829 (Rhodococcus rhodochrous)

TSYDVVVVGAGIAGLYAIHRFRSQGLTVRAFEAASGVGGVWYWNRYPGAR
CDVESIDYSYSFSPELEQEWNWSEKYATQPEILAYLEHVADRFDLRRDIR
FDTRVTSAVLDEEGLRWTVRTDRGDEVSARFLVVAAGPLSNANTPAFDGL
DRFTGDIVHTARWPHDGVDFTGKRVGVIGTGSSGIQSIPIIAEQAEQLFV
FQRSANYSIPAGNVPLDDATRAEQKANYAERRRLSRESGGGSPHRPHPKS
ALEVSEEERRAVYEERWKLGGVLFSKAFPDQLTDPAANDTARAFWEEKIR
AVVDDPAVAELLTPKDHAIGAKRIVTDSGYYETYNRDNVELVDLRSTPIV
GMDETGIVTTGAHYDLDMIVLATGFDAMTGSLDKLEIVGRGGRTLKETWA
AGPRTYLGLGIDGFPNFFNLTGPGSPSVLANMVLHSELHVDWVADAIAYL
DARGAAGIEGTPEAVADWVEECRNRAEASLLNSANSWYLGRVFMPFLGGF
GVYREIITEVAESGYKGFAILEG

3D structure

• PDB: 4aos Exploring the Structural Basis of Substrate Preferences in Baeyer-Villiger Monooxygenases: Insight from Steroid Monooxygenase.
• Chain: A
• Resolution: 2.5 Å

Enzymatic activity

• Enzyme Commision number: 1.14.13.54: ketosteroid 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	V27 G28 G30 A32 E51 A52 G58 V59 W60 R69 C70 D71 V72 Y77 R123 V124 A155 G156 L158 M451	V8 G9 G11 A13 E32 A33 G39 V40 W41 R50 C51 D52 V53 Y58 R104 V105 A136 G137 L139 M432
BS02	NAP	A	L158 P164 G198 T199 G200 S201 R222 S223 R342 G393 F394 W506	L139 P145 G179 T180 G181 S182 R203 S204 R323 G374 F375 W487

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0004497 monooxygenase activity
• GO:0004499 N,N-dimethylaniline 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:0050660 flavin adenine dinucleotide binding
• GO:0050661 NADP binding

External links

• PDB: RCSB:4aos, PDBe:4aos, PDBj:4aos
• PDBsum: 4aos
• PubMed: 22605340
• UniProt: O50641