Structure of PDB 3r9c Chain A

Receptor sequence

>3r9cA (length=400) Species: 246196 (Mycolicibacterium smegmatis MC2 155)

AQGLLLQLLDPATRADPYPIYDRIRRGGPLALPEANLAVFSSFSDCDDVL
RHPSSCSDRTKSTIFQRQLAAETQPRPQGPASFLFLDPPDHTRLRGLVSK
AFAPRVIKRLEPEITALVDQLLDAVDGPEFNLIDNLAYPLPVAVICRLLG
VPIEDEPKFSRASALLAAALDPFLALTGETSDLFDEQMKAGMWLRDYLRA
LIDERRRTPGEDLMSGLVAVEESGDQLTEDEIIATCNLLLIAGHETTVNL
IANAALAMLRTPGQWAALAADGSRASAVIEETMRYDPPVQLVSRYAGDDL
TIGTHTVPKGDTMLLLLAAAHRDPTIVGAPDRFDPDRAQIRHLGFGKGAH
FCLGAPLARLEATVALPALAARFPEARLSGEPEYKRNLTLRGMSTLSIAV

3D structure

• PDB: 3r9c An enlarged, adaptable active site in CYP164 family P450 enzymes, the sole P450 in Mycobacterium leprae.
• Chain: A
• Resolution: 2.14 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): A182 A256 E259 T260 T261 F359 C366 L367 G368 E375 L404
• Catalytic site (residue number reindexed from 1): A168 A242 E245 T246 T247 F345 C352 L353 G354 E361 L390
• Enzyme Commision number: 1.14.-.-

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	A	H105 R109 L252 L253 A256 T260 L264 V303 R308 G358 F359 H364 C366 G368 A372	H91 R95 L238 L239 A242 T246 L250 V289 R294 G344 F345 H350 C352 G354 A358
BS02	ECL	A	A95 L184 L252 I255 T260	A81 L170 L238 I241 T246	MOAD: Kd=0.098uM
BS03	ECL	A	S71 P94 A95 L98 R109 V112 A248 T249 N251	S57 P80 A81 L84 R95 V98 A234 T235 N237	MOAD: Kd=0.098uM

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:3r9c, PDBe:3r9c, PDBj:3r9c
• PDBsum: 3r9c
• PubMed: 22037849
• UniProt: A0R5U2