Iron in PDB 4ek1: Crystal Structure of Electron-Spin Labeled Cytochrome P450CAM

All present enzymatic activity of Crystal Structure of Electron-Spin Labeled Cytochrome P450CAM:
1.14.15.1;

The structure of Crystal Structure of Electron-Spin Labeled Cytochrome P450CAM, PDB code: 4ek1 was solved by Y.-T.Lee, D.B.Goodin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.97
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.020, 101.530, 72.980, 90.00, 107.39, 90.00
R / Rfree (%)	20.4 / 25.3

The structure of Crystal Structure of Electron-Spin Labeled Cytochrome P450CAM also contains other interesting chemical elements:

Potassium

(K)

2 atoms

The binding sites of Iron atom in the Crystal Structure of Electron-Spin Labeled Cytochrome P450CAM (pdb code 4ek1). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Electron-Spin Labeled Cytochrome P450CAM, PDB code: 4ek1:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Electron-Spin Labeled Cytochrome P450CAM


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Electron-Spin Labeled Cytochrome P450CAM within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:14.6 occ:1.00 FE A:HEM501 0.0 14.6 1.0 ND A:HEM501 2.1 14.2 1.0 NC A:HEM501 2.1 15.7 1.0 NB A:HEM501 2.1 15.3 1.0 NA A:HEM501 2.1 13.3 1.0 SG A:CYS357 2.4 16.3 1.0 C1D A:HEM501 3.0 13.9 1.0 C4C A:HEM501 3.1 15.3 1.0 C1B A:HEM501 3.1 13.8 1.0 C4A A:HEM501 3.1 13.9 1.0 C4D A:HEM501 3.1 14.8 1.0 C1C A:HEM501 3.1 16.0 1.0 C4B A:HEM501 3.1 14.4 1.0 C1A A:HEM501 3.1 13.4 1.0 CB A:CYS357 3.4 15.7 1.0 CHD A:HEM501 3.4 14.1 1.0 CHB A:HEM501 3.4 13.2 1.0 CHA A:HEM501 3.5 13.4 1.0 CHC A:HEM501 3.5 15.2 1.0 CA A:CYS357 4.0 15.6 1.0 C5 A:CAM502 4.0 15.5 1.0 C3C A:HEM501 4.3 16.3 1.0 C2B A:HEM501 4.3 12.5 1.0 C2D A:HEM501 4.3 13.7 1.0 C2C A:HEM501 4.3 16.0 1.0 C3D A:HEM501 4.3 13.1 1.0 C3A A:HEM501 4.3 13.9 1.0 C3B A:HEM501 4.3 13.8 1.0 C2A A:HEM501 4.3 13.9 1.0 N A:GLY359 4.5 16.1 1.0 C4 A:CAM502 4.5 14.3 1.0 N A:LEU358 4.6 15.8 1.0 C A:CYS357 4.7 16.0 1.0 C9 A:CAM502 4.7 12.5 1.0 CA A:GLY359 4.8 16.4 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Electron-Spin Labeled Cytochrome P450CAM


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Electron-Spin Labeled Cytochrome P450CAM within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:15.3 occ:1.00 FE B:HEM501 0.0 15.3 1.0 ND B:HEM501 2.1 17.0 1.0 NB B:HEM501 2.1 15.9 1.0 NA B:HEM501 2.1 14.4 1.0 NC B:HEM501 2.1 14.9 1.0 SG B:CYS357 2.4 15.4 1.0 C1D B:HEM501 3.1 16.6 1.0 C4D B:HEM501 3.1 15.6 1.0 C4B B:HEM501 3.1 17.0 1.0 C1C B:HEM501 3.1 12.4 1.0 C4A B:HEM501 3.1 14.0 1.0 C4C B:HEM501 3.1 14.5 1.0 C1B B:HEM501 3.1 14.5 1.0 C1A B:HEM501 3.1 14.3 1.0 CHD B:HEM501 3.4 14.3 1.0 CHC B:HEM501 3.5 14.6 1.0 CHA B:HEM501 3.5 13.3 1.0 CB B:CYS357 3.5 16.6 1.0 CHB B:HEM501 3.5 13.6 1.0 C5 B:CAM502 4.0 13.9 1.0 CA B:CYS357 4.1 16.8 1.0 C3D B:HEM501 4.3 17.1 1.0 C2D B:HEM501 4.3 17.7 1.0 C2C B:HEM501 4.3 11.6 1.0 C3B B:HEM501 4.3 14.5 1.0 C3A B:HEM501 4.3 13.6 1.0 C3C B:HEM501 4.3 12.7 1.0 C2A B:HEM501 4.3 13.6 1.0 C2B B:HEM501 4.3 15.6 1.0 N B:GLY359 4.6 18.8 1.0 C4 B:CAM502 4.7 12.8 1.0 C B:CYS357 4.8 17.0 1.0 N B:LEU358 4.8 17.8 1.0 CA B:GLY359 4.9 18.6 1.0

S.Stoll, Y.T.Lee, M.Zhang, R.F.Wilson, R.D.Britt, D.B.Goodin. Double Electron-Electron Resonance Shows Cytochrome P450CAM Undergoes A Conformational Change in Solution Upon Binding Substrate. Proc.Natl.Acad.Sci.Usa V. 109 12888 2012.
ISSN: ISSN 0027-8424
PubMed: 22826259
DOI: 10.1073/PNAS.1207123109