Structure of PDB 1pkf Chain A

Receptor sequence

>1pkfA (length=403) Species: 56 (Sorangium cellulosum)

AFDFKPFAPGYAEDPFPAIERLREATPIFYWDEGRSWVLTRYHDVSAVFR
DERFAVSREEWESSAEYSSAIPELSDMKKYGLFGLPPEDHARVRKLVNPS
FTSRAIDLLRAEIQRTVDQLLDARSGQEEFDVVRDYAEGIPMRAISALLK
VPAECDEKFRRFGSATARALGVGLVPRVDEETKTLVASVTEGLALLHGVL
DERRRNPLENDVLTMLLQAEADGSRLSTKELVALVGAIIAAGTDTTIYLI
AFAVLNLLRSPEALELVKAEPGLMRNALDEVLRFENILRIGTVRFARQDL
EYCGASIKKGEMVFLLIPSALRDGTVFSRPDVFDVRRDTSASLAYGRGPH
VCPGVSLARLEAEIAVGTIFRRFPEMKLKETPVFGYHPAFRNIESLNVIL
KPS

3D structure

• PDB: 1pkf Crystal Structures of Epothilone D-bound, Epothilone B-bound, and Substrate-free Forms of Cytochrome P450epoK
• Chain: A
• Resolution: 2.1 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): R181 A254 D257 T258 T259 C365 P366 G367 E374 F403
• Catalytic site (residue number reindexed from 1): R168 A241 D244 T245 T246 C352 P353 G354 E361 F390
• Enzyme Commision number: 1.14.15.-

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	L95 F96 H103 R107 I251 A254 G255 T258 T305 R307 A357 Y358 H363 C365 P366 G367	L82 F83 H90 R94 I238 A241 G242 T245 T292 R294 A344 Y345 H350 C352 P353 G354
BS02	EPD	A	F96 A180 L183 G184 A254 G304 T305 A402 F403	F83 A167 L170 G171 A241 G291 T292 A389 F390

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

Biological Process

• GO:0050814 epothilone biosynthetic process

Cellular Component

• GO:0005575 cellular_component

External links

• PDB: RCSB:1pkf, PDBe:1pkf, PDBj:1pkf
• PDBsum: 1pkf
• PubMed: 12933799
• UniProt: Q9KIZ4|C167_SORCE Epothilone C/D epoxidase (Gene Name=cyp167A1)