Iron in PDB 4ep6: Crystal Structure of the Xpla Heme Domain in Complex with Imidazole and Peg

The structure of Crystal Structure of the Xpla Heme Domain in Complex with Imidazole and Peg, PDB code: 4ep6 was solved by S.H.Bui, K.J.Mclean, M.R.Cheesman, J.M.Bradley, S.E.J.Rigby, D.Leys, A.W.Munro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.04 / 2.30
Space group	I 41
Cell size a, b, c (Å), α, β, γ (°)	136.120, 136.120, 75.130, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 24.2

The binding sites of Iron atom in the Crystal Structure of the Xpla Heme Domain in Complex with Imidazole and Peg (pdb code 4ep6). 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 the Xpla Heme Domain in Complex with Imidazole and Peg, PDB code: 4ep6:

Iron binding site 1 out of 1 in the Crystal Structure of the Xpla Heme Domain in Complex with Imidazole and Peg


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 the Xpla Heme Domain in Complex with Imidazole and Peg within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:26.8 occ:1.00 FE A:HEM601 0.0 26.8 1.0 NB A:HEM601 1.9 23.3 1.0 NC A:HEM601 1.9 24.3 1.0 ND A:HEM601 1.9 23.1 1.0 NA A:HEM601 2.0 22.4 1.0 N1 A:IMD602 2.2 33.5 1.0 SG A:CYS503 2.4 31.6 1.0 C4C A:HEM601 2.7 22.4 1.0 C1B A:HEM601 2.9 23.7 1.0 C1D A:HEM601 2.9 23.6 1.0 C4B A:HEM601 3.0 23.1 1.0 C4A A:HEM601 3.0 24.1 1.0 C5 A:IMD602 3.0 30.9 1.0 C1C A:HEM601 3.0 22.2 1.0 C4D A:HEM601 3.0 18.8 1.0 C1A A:HEM601 3.1 22.7 1.0 CHD A:HEM601 3.1 23.1 1.0 CHB A:HEM601 3.3 23.3 1.0 C2 A:IMD602 3.3 32.0 1.0 CHC A:HEM601 3.4 23.1 1.0 CHA A:HEM601 3.5 23.9 1.0 CB A:CYS503 3.5 34.1 1.0 C3C A:HEM601 4.0 24.9 1.0 C3B A:HEM601 4.1 23.1 1.0 C2B A:HEM601 4.1 23.2 1.0 C3D A:HEM601 4.2 21.4 1.0 C4 A:IMD602 4.2 30.8 1.0 CA A:CYS503 4.2 33.0 1.0 C2D A:HEM601 4.2 21.1 1.0 C2C A:HEM601 4.2 24.8 1.0 C3A A:HEM601 4.3 24.4 1.0 C2A A:HEM601 4.3 26.2 1.0 N3 A:IMD602 4.3 32.7 1.0 N A:GLY505 4.8 32.5 1.0 N A:ALA504 4.8 32.1 1.0 C A:CYS503 4.8 33.1 1.0

S.H.Bui, K.J.Mclean, M.R.Cheesman, J.M.Bradley, S.E.Rigby, C.W.Levy, D.Leys, A.W.Munro. Unusual Spectroscopic and Ligand Binding Properties of the Cytochrome P450-Flavodoxin Fusion Enzyme Xpla. J.Biol.Chem. V. 287 19699 2012.
ISSN: ISSN 0021-9258
PubMed: 22500029
DOI: 10.1074/JBC.M111.319202