Structure of PDB 5l91 Chain B

Receptor sequence

>5l91B (length=389) Species: 592022 (Priestia megaterium DSM 319)

TKEERFNPFSWYEEMRNTAPVQWDEERQVWDVFHYDGVKEVLEQKNIFSS
DRRPPQNQRQTALGTSLINIDPPKHAEMRALVNKAFTPKAMKAWEPKIAR
ITNELLQEVEHLEDIDIVEHLSYPLPVMVIADILGVPIEDQRQFKDWSDI
IVAGPSNNERETLEKLQQEKMKANDELETYFYRIIEEKRTRPGDDIISVL
LQAKEEGKQLTDEEIVGFSILLLIAGNETTTNLISNTIYCLMEDKASFER
LKREKELLPSGIEEVLRYRSPVQALHRIVKEDVTLAGKKLKAGEHVVPWM
GSAHRDAEYFEDPEVFKIDRKPNVHMAFGRGIHFCLGAPLARIEAKIMLA
ELIDRYPQMDWSPSFELKPIESTFVYGLKELLIRKNVHH

3D structure

• PDB: 5l91 Structural basis of steroid binding and oxidation by the cytochrome P450 CYP109E1 from Bacillus megaterium.
• Chain: B
• Resolution: 2.2 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): A170 A242 E245 T246 T247 F345 C352 L353 G354 E361 V392
• Catalytic site (residue number reindexed from 1): A153 A225 E228 T229 T230 F328 C335 L336 G337 E344 V375
• Enzyme Commision number: 1.14.14.-

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	HEM	B	L84 I85 H92 R96 L239 G243 T246 T247 L250 L292 R294 A344 F345 G346 H350 C352 G354	L67 I68 H75 R79 L222 G226 T229 T230 L233 L275 R277 A327 F328 G329 H333 C335 G337
BS02	C0R	B	V169 I241 E245 V289 V392	V152 I224 E228 V272 V375	MOAD: Kd=91uM
BS03	C0R	B	R69 Q75 L80 I85 N86	R52 Q58 L63 I68 N69	MOAD: Kd=91uM
BS04	C0R	B	V46 L292 H293 H312 F391	V29 L275 H276 H295 F374	MOAD: Kd=91uM
BS05	C0R	B	R76 T78 N191	R59 T61 N174	MOAD: Kd=91uM

Gene Ontology

Molecular Function

• GO:0004497 monooxygenase activity
• GO:0005506 iron ion binding
• GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
• GO:0020037 heme binding
• GO:0046872 metal ion binding

External links

• PDB: RCSB:5l91, PDBe:5l91, PDBj:5l91
• PDBsum: 5l91
• PubMed: 27686671
• UniProt: D5DKI8