Iron in PDB 6gii: The Crystal Structure of Tepidiphilus Thermophilus P450 Heme Domain

The structure of The Crystal Structure of Tepidiphilus Thermophilus P450 Heme Domain, PDB code: 6gii was solved by C.W.Levy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.32 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.292, 74.384, 105.013, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 22.8

The binding sites of Iron atom in the The Crystal Structure of Tepidiphilus Thermophilus P450 Heme Domain (pdb code 6gii). 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 The Crystal Structure of Tepidiphilus Thermophilus P450 Heme Domain, PDB code: 6gii:

Iron binding site 1 out of 1 in the The Crystal Structure of Tepidiphilus Thermophilus P450 Heme Domain


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Crystal Structure of Tepidiphilus Thermophilus P450 Heme Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:10.1 occ:1.00 FE A:HEM501 0.0 10.1 1.0 NC A:HEM501 2.0 9.1 1.0 NB A:HEM501 2.0 8.2 1.0 NA A:HEM501 2.0 7.5 1.0 ND A:HEM501 2.1 9.1 1.0 O A:HOH629 2.4 24.6 1.0 SG A:CYS419 2.5 10.9 1.0 C4B A:HEM501 3.0 8.1 1.0 C1C A:HEM501 3.0 8.8 1.0 C1A A:HEM501 3.1 8.3 1.0 C4D A:HEM501 3.1 9.5 1.0 C4A A:HEM501 3.1 7.8 1.0 C4C A:HEM501 3.1 9.0 1.0 C1B A:HEM501 3.1 8.5 1.0 C1D A:HEM501 3.1 10.4 1.0 HB2 A:CYS419 3.2 10.7 1.0 CHC A:HEM501 3.4 8.8 1.0 CHA A:HEM501 3.4 8.8 1.0 CB A:CYS419 3.4 8.9 1.0 CHB A:HEM501 3.4 9.5 1.0 CHD A:HEM501 3.5 8.8 1.0 HB1 A:ALA308 3.7 10.7 1.0 HA A:CYS419 3.8 10.3 1.0 H A:GLY421 4.0 9.9 1.0 O A:ALA308 4.0 6.5 1.0 O A:HOH970 4.1 22.4 1.0 CA A:CYS419 4.1 8.6 1.0 HB3 A:CYS419 4.2 10.7 1.0 C3B A:HEM501 4.2 7.6 1.0 C2C A:HEM501 4.3 8.8 1.0 C3C A:HEM501 4.3 9.2 1.0 C2B A:HEM501 4.3 7.9 1.0 C3D A:HEM501 4.3 9.0 1.0 C2A A:HEM501 4.3 8.3 1.0 C3A A:HEM501 4.3 7.9 1.0 C2D A:HEM501 4.3 10.3 1.0 HHC A:HEM501 4.4 10.6 1.0 HHA A:HEM501 4.4 10.5 1.0 HHB A:HEM501 4.4 11.4 1.0 HHD A:HEM501 4.4 10.6 1.0 HG1 A:THR312 4.5 14.1 1.0 HG21 A:THR312 4.5 14.1 1.0 HD2 A:PHE412 4.5 8.1 1.0 H A:LEU420 4.5 7.5 1.0 CB A:ALA308 4.6 8.9 1.0 C A:ALA308 4.8 6.2 1.0 C A:CYS419 4.8 8.2 1.0 N A:GLY421 4.8 8.3 1.0 N A:LEU420 4.8 6.2 1.0 HB3 A:ALA308 5.0 10.7 1.0

M.Tavanti, J.L.Porter, C.W.Levy, J.R.Gomez Castellanos, S.L.Flitsch, N.J.Turner. The Crystal Structure of P450-Tt Heme-Domain Provides the First Structural Insights Into the Versatile Class VII P450S. Biochem. Biophys. Res. V. 501 846 2018COMMUN..
ISSN: ESSN 1090-2104
PubMed: 29738765
DOI: 10.1016/J.BBRC.2018.05.014