Iron in PDB 1jio: P450ERYF/6DEB

The structure of P450ERYF/6DEB, PDB code: 1jio was solved by J.R.Cupp-Vickery, C.Garcia, A.Hofacre, K.Mcgee-Estrada, 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 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.073, 78.676, 98.823, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 24.2

The binding sites of Iron atom in the P450ERYF/6DEB (pdb code 1jio). 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 P450ERYF/6DEB, PDB code: 1jio:

Iron binding site 1 out of 1 in the P450ERYF/6DEB


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of P450ERYF/6DEB within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe410 b:26.1 occ:1.00 FE A:HEM410 0.0 26.1 1.0 NB A:HEM410 2.0 26.0 1.0 ND A:HEM410 2.0 28.8 1.0 NC A:HEM410 2.0 27.8 1.0 NA A:HEM410 2.0 27.4 1.0 SG A:CYS351 2.2 27.1 1.0 C1B A:HEM410 3.0 15.5 1.0 C4B A:HEM410 3.0 23.2 1.0 C1C A:HEM410 3.0 23.6 1.0 C4D A:HEM410 3.1 22.2 1.0 C4A A:HEM410 3.1 18.1 1.0 C4C A:HEM410 3.1 29.1 1.0 C1D A:HEM410 3.1 24.9 1.0 C1A A:HEM410 3.1 23.3 1.0 CB A:CYS351 3.3 24.9 1.0 CHC A:HEM410 3.4 20.6 1.0 CHB A:HEM410 3.4 17.0 1.0 CHA A:HEM410 3.4 25.0 1.0 CHD A:HEM410 3.5 23.3 1.0 O A:HOH424 3.6 34.9 1.0 CA A:CYS351 3.9 28.1 1.0 C2B A:HEM410 4.2 22.5 1.0 C3B A:HEM410 4.3 22.1 1.0 C2C A:HEM410 4.3 27.0 1.0 C3A A:HEM410 4.3 21.0 1.0 C3D A:HEM410 4.3 26.8 1.0 C3C A:HEM410 4.3 24.6 1.0 C2D A:HEM410 4.3 25.4 1.0 C2A A:HEM410 4.3 20.3 1.0 N A:GLY353 4.6 28.1 1.0 N A:MET352 4.6 35.7 1.0 C A:CYS351 4.6 24.0 1.0 C6 A:DEB420 4.7 35.9 1.0 C23 A:DEB420 4.7 37.4 1.0

J.R.Cupp-Vickery, C.Garcia, A.Hofacre, K.Mcgee-Estrada. Ketoconazole-Induced Conformational Changes in the Active Site of Cytochrome P450ERYF. J.Mol.Biol. V. 311 101 2001.
ISSN: ISSN 0022-2836
PubMed: 11469860
DOI: 10.1006/JMBI.2001.4803