Iron in PDB 1pkf: Crystal Structure of Epothilone D-Bound Cytochrome P450EPOK

The structure of Crystal Structure of Epothilone D-Bound Cytochrome P450EPOK, PDB code: 1pkf was solved by S.Nagano, H.Li, H.Shimizu, C.Nishida, H.Ogura, P.R.Ortiz De Montellano, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.10
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	60.430, 60.430, 252.770, 90.00, 90.00, 90.00
R / Rfree (%)	21.9 / 27.5

The binding sites of Iron atom in the Crystal Structure of Epothilone D-Bound Cytochrome P450EPOK (pdb code 1pkf). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure of Epothilone D-Bound Cytochrome P450EPOK, PDB code: 1pkf:

Iron binding site 1 out of 1 in the Crystal Structure of Epothilone D-Bound Cytochrome P450EPOK


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Epothilone D-Bound Cytochrome P450EPOK within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe440 b:34.4 occ:1.00 FE A:HEM440 0.0 34.4 1.0 NB A:HEM440 1.7 31.8 1.0 ND A:HEM440 2.0 33.4 1.0 NC A:HEM440 2.1 34.5 1.0 NA A:HEM440 2.1 34.6 1.0 SG A:CYS365 2.3 34.1 1.0 C1B A:HEM440 2.8 34.4 1.0 C4B A:HEM440 2.8 35.3 1.0 C1D A:HEM440 3.0 35.0 1.0 C4C A:HEM440 3.0 35.1 1.0 C4A A:HEM440 3.1 33.8 1.0 C1C A:HEM440 3.1 34.1 1.0 C4D A:HEM440 3.1 36.9 1.0 C1A A:HEM440 3.2 36.3 1.0 CB A:CYS365 3.3 35.2 1.0 CHB A:HEM440 3.3 33.8 1.0 CHD A:HEM440 3.3 34.9 1.0 CHC A:HEM440 3.4 34.0 1.0 CHA A:HEM440 3.5 36.7 1.0 C3B A:HEM440 4.0 34.2 1.0 C2B A:HEM440 4.0 35.1 1.0 CA A:CYS365 4.1 37.1 1.0 C2D A:HEM440 4.2 35.4 1.0 C3C A:HEM440 4.3 37.6 1.0 C3A A:HEM440 4.3 36.4 1.0 C2C A:HEM440 4.3 36.6 1.0 C3D A:HEM440 4.3 35.4 1.0 C2A A:HEM440 4.4 37.4 1.0 C4 A:EPD450 4.7 50.1 1.0 CD A:PRO366 4.8 40.5 1.0 N A:GLY367 4.8 37.8 1.0 CB A:ALA254 4.8 39.9 1.0 C A:CYS365 4.8 38.4 1.0 C51 A:EPD450 4.9 49.5 1.0 C5 A:EPD450 4.9 49.3 1.0 O A:ALA254 5.0 43.2 1.0

S.Nagano, H.Li, H.Shimizu, C.Nishida, H.Ogura, P.R.Ortiz De Montellano, T.L.Poulos. Crystal Structures of Epothilone D-Bound, Epothilone B-Bound, and Substrate-Free Forms of Cytochrome P450EPOK J.Biol.Chem. V. 278 44886 2003.
ISSN: ISSN 0021-9258
PubMed: 12933799
DOI: 10.1074/JBC.M308115200