Iron in PDB 4oqr: Structure of A CYP105AS1 Mutant in Complex with Compactin

The structure of Structure of A CYP105AS1 Mutant in Complex with Compactin, PDB code: 4oqr was solved by D.Leys, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.54 / 1.81
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.360, 86.810, 139.630, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 21.7

The binding sites of Iron atom in the Structure of A CYP105AS1 Mutant in Complex with Compactin (pdb code 4oqr). 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 Structure of A CYP105AS1 Mutant in Complex with Compactin, PDB code: 4oqr:

Iron binding site 1 out of 1 in the Structure of A CYP105AS1 Mutant in Complex with Compactin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of A CYP105AS1 Mutant in Complex with Compactin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:13.6 occ:1.00 FE A:HEM501 0.0 13.6 1.0 NC A:HEM501 2.0 12.4 1.0 NA A:HEM501 2.0 13.5 1.0 NB A:HEM501 2.0 14.5 1.0 ND A:HEM501 2.1 13.4 1.0 SG A:CYS348 2.4 14.7 1.0 C4A A:HEM501 3.0 14.1 1.0 C4C A:HEM501 3.0 12.5 1.0 C1D A:HEM501 3.0 11.5 1.0 C1C A:HEM501 3.0 14.5 1.0 C1B A:HEM501 3.1 13.2 1.0 C4B A:HEM501 3.1 13.7 1.0 C4D A:HEM501 3.1 10.2 1.0 C1A A:HEM501 3.1 11.7 1.0 CB A:CYS348 3.3 12.6 1.0 CHD A:HEM501 3.4 13.2 1.0 CHB A:HEM501 3.4 14.0 1.0 CHC A:HEM501 3.4 14.6 1.0 CHA A:HEM501 3.5 9.4 1.0 CA A:CYS348 3.9 14.9 1.0 C2D A:HEM501 4.3 11.1 1.0 C3B A:HEM501 4.3 11.7 1.0 C3C A:HEM501 4.3 16.1 1.0 C3A A:HEM501 4.3 13.8 1.0 C2B A:HEM501 4.3 9.9 1.0 C2C A:HEM501 4.3 14.9 1.0 C2A A:HEM501 4.3 12.3 1.0 C3D A:HEM501 4.3 10.4 1.0 C4 A:2UO502 4.4 40.2 1.0 N A:LEU349 4.6 13.7 1.0 C A:CYS348 4.6 13.1 1.0 N A:GLY350 4.6 14.4 1.0 C3 A:2UO502 4.7 39.9 1.0 CG2 A:THR244 4.7 16.0 1.0

K.J.Mclean, M.Hans, B.Meijrink, W.B.Van Scheppingen, A.Vollebregt, K.L.Tee, J.-M.Van Der Laan, D.Leys, A.W.Munro, M.A.Van Den Berg. Single-Step Fermentative Production of the Cholesterol Lowering Drug Pravastatin Via Reprogramming of Penicillium Chrysogenum Proc.Natl.Acad.Sci.Usa 2015.
ISSN: ESSN 1091-6490