Iron in PDB 5iuz: Structure of P450 2B4 F202W Mutant (Cymal-5)

All present enzymatic activity of Structure of P450 2B4 F202W Mutant (Cymal-5):
1.14.14.1;

The structure of Structure of P450 2B4 F202W Mutant (Cymal-5), PDB code: 5iuz was solved by H.-H.Jang, J.R.Halpert, M.B.Shah, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.73
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	91.610, 91.610, 150.931, 90.00, 90.00, 120.00
R / Rfree (%)	18 / 24.8

The binding sites of Iron atom in the Structure of P450 2B4 F202W Mutant (Cymal-5) (pdb code 5iuz). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of P450 2B4 F202W Mutant (Cymal-5), PDB code: 5iuz:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of P450 2B4 F202W Mutant (Cymal-5)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of P450 2B4 F202W Mutant (Cymal-5) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:24.1 occ:1.00 FE A:HEM501 0.0 24.1 1.0 NA A:HEM501 2.0 21.8 1.0 NC A:HEM501 2.0 19.3 1.0 ND A:HEM501 2.0 21.1 1.0 NB A:HEM501 2.0 19.9 1.0 SG A:CYS436 2.5 30.6 1.0 C1A A:HEM501 3.0 24.4 1.0 C4D A:HEM501 3.0 22.5 1.0 C1C A:HEM501 3.0 18.6 1.0 C4B A:HEM501 3.0 18.6 1.0 C4A A:HEM501 3.0 22.2 1.0 C4C A:HEM501 3.0 19.6 1.0 C1D A:HEM501 3.1 21.2 1.0 C1B A:HEM501 3.1 19.9 1.0 CHA A:HEM501 3.3 23.7 1.0 CHC A:HEM501 3.3 18.0 1.0 CHB A:HEM501 3.5 21.7 1.0 CHD A:HEM501 3.5 19.1 1.0 O A:HOH668 3.5 43.1 1.0 CB A:CYS436 3.6 29.7 1.0 CA A:CYS436 4.1 30.0 1.0 O A:ALA298 4.2 30.3 1.0 C2A A:HEM501 4.2 24.8 1.0 C2C A:HEM501 4.2 18.9 1.0 C3D A:HEM501 4.2 22.6 1.0 C3B A:HEM501 4.3 17.3 1.0 C3C A:HEM501 4.3 19.9 1.0 C3A A:HEM501 4.3 22.7 1.0 C2B A:HEM501 4.3 18.2 1.0 C2D A:HEM501 4.3 20.5 1.0 CB A:ALA298 4.3 28.5 1.0 N A:LEU437 4.6 29.2 1.0 C A:CYS436 4.7 30.0 1.0 N A:GLY438 4.7 27.4 1.0 C A:ALA298 4.8 29.1 1.0

Iron binding site 2 out of 2 in the Structure of P450 2B4 F202W Mutant (Cymal-5)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of P450 2B4 F202W Mutant (Cymal-5) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:21.5 occ:1.00 FE B:HEM501 0.0 21.5 1.0 ND B:HEM501 1.9 20.0 1.0 NB B:HEM501 1.9 18.9 1.0 NC B:HEM501 2.0 18.3 1.0 NA B:HEM501 2.0 20.8 1.0 SG B:CYS436 2.5 30.6 1.0 C4D B:HEM501 2.9 21.8 1.0 C4B B:HEM501 2.9 19.7 1.0 C1C B:HEM501 2.9 18.3 1.0 C1A B:HEM501 3.0 22.3 1.0 C1D B:HEM501 3.0 22.6 1.0 C1B B:HEM501 3.0 20.2 1.0 C4A B:HEM501 3.1 21.8 1.0 C4C B:HEM501 3.1 19.6 1.0 CHC B:HEM501 3.2 19.2 1.0 CHA B:HEM501 3.2 22.1 1.0 O B:HOH685 3.5 52.6 1.0 CHB B:HEM501 3.5 21.8 1.0 CHD B:HEM501 3.5 19.4 1.0 CB B:CYS436 3.7 29.7 1.0 O B:ALA298 4.0 30.2 1.0 C3D B:HEM501 4.2 24.2 1.0 C3B B:HEM501 4.2 19.3 1.0 C2C B:HEM501 4.2 17.5 1.0 C2B B:HEM501 4.2 18.9 1.0 C2D B:HEM501 4.2 23.0 1.0 CA B:CYS436 4.2 30.0 1.0 C2A B:HEM501 4.3 22.4 1.0 C3C B:HEM501 4.3 18.4 1.0 C3A B:HEM501 4.3 21.9 1.0 CB B:ALA298 4.3 28.5 1.0 C B:ALA298 4.7 29.0 1.0 N B:LEU437 4.8 29.2 1.0 N B:GLY438 4.8 27.4 1.0 C B:CYS436 4.8 30.0 1.0 CA B:ALA298 5.0 29.0 1.0

M.B.Shah, H.H.Jang, P.R.Wilderman, D.Lee, S.Li, Q.Zhang, C.D.Stout, J.R.Halpert. Effect of Detergent Binding on Cytochrome P450 2B4 Structure As Analyzed By X-Ray Crystallography and Deuterium-Exchange Mass Spectrometry. Biophys.Chem. V. 216 1 2016.
ISSN: ISSN 0301-4622
PubMed: 27280734
DOI: 10.1016/J.BPC.2016.05.007