Iron in PDB 4zv8: Structure of CYP2B6 (Y226H/K262R) with Additional Mutation Y244W in Complex with Alpha-Pinene

The structure of Structure of CYP2B6 (Y226H/K262R) with Additional Mutation Y244W in Complex with Alpha-Pinene, PDB code: 4zv8 was solved by J.Liu, M.B.Shah, C.D.Stout, J.R.Halpert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	68.08 / 2.24
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	77.240, 77.240, 204.250, 90.00, 90.00, 120.00
R / Rfree (%)	16.9 / 23.2

The binding sites of Iron atom in the Structure of CYP2B6 (Y226H/K262R) with Additional Mutation Y244W in Complex with Alpha-Pinene (pdb code 4zv8). 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 CYP2B6 (Y226H/K262R) with Additional Mutation Y244W in Complex with Alpha-Pinene, PDB code: 4zv8:

Iron binding site 1 out of 1 in the Structure of CYP2B6 (Y226H/K262R) with Additional Mutation Y244W in Complex with Alpha-Pinene


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of CYP2B6 (Y226H/K262R) with Additional Mutation Y244W in Complex with Alpha-Pinene within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:18.2 occ:1.00 FE A:HEM501 0.0 18.2 1.0 NB A:HEM501 2.0 18.5 1.0 NC A:HEM501 2.0 19.4 1.0 ND A:HEM501 2.1 16.8 1.0 NA A:HEM501 2.1 18.9 1.0 SG A:CYS436 2.4 18.2 1.0 C4B A:HEM501 3.0 20.6 1.0 C1C A:HEM501 3.1 21.2 1.0 C4C A:HEM501 3.1 18.3 1.0 C1B A:HEM501 3.1 18.1 1.0 C1D A:HEM501 3.1 19.2 1.0 C1A A:HEM501 3.1 20.1 1.0 C4D A:HEM501 3.1 21.1 1.0 C4A A:HEM501 3.1 18.8 1.0 CB A:CYS436 3.3 18.8 1.0 CHC A:HEM501 3.4 20.3 1.0 CHD A:HEM501 3.4 14.7 1.0 CHA A:HEM501 3.4 14.5 1.0 CHB A:HEM501 3.5 20.1 1.0 CA A:CYS436 4.0 21.8 1.0 C3B A:HEM501 4.2 20.9 1.0 C2C A:HEM501 4.3 20.9 1.0 C3C A:HEM501 4.3 18.4 1.0 C2A A:HEM501 4.3 19.7 1.0 C2B A:HEM501 4.3 19.4 1.0 C3A A:HEM501 4.3 22.7 1.0 C2D A:HEM501 4.3 18.2 1.0 C3D A:HEM501 4.3 18.5 1.0 C A:CYS436 4.7 23.6 1.0 N A:LEU437 4.7 24.0 1.0 N A:GLY438 4.8 25.4 1.0 CG2 A:THR302 4.8 21.8 1.0 C10 A:TMH502 4.9 58.0 1.0

J.Liu, M.B.Shah, Q.Zhang, C.D.Stout, J.R.Halpert, P.R.Wilderman. Coumarin Derivatives As Substrate Probes of Mammalian Cytochromes P450 2B4 and 2B6: Assessing the Importance of 7-Alkoxy Chain Length, Halogen Substitution, and Non-Active Site Mutations. Biochemistry V. 55 1997 2016.
ISSN: ISSN 0006-2960
PubMed: 26982502
DOI: 10.1021/ACS.BIOCHEM.5B01330