Iron in PDB 3wrk: Crystal Structure of P450CAM

All present enzymatic activity of Crystal Structure of P450CAM:
1.14.15.1;

The structure of Crystal Structure of P450CAM, PDB code: 3wrk was solved by A.Kishimoto, K.Takagi, A.Amano, K.Sakurai, T.Mizushima, H.Shimada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.40 / 2.61
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.339, 93.188, 73.828, 90.00, 89.92, 90.00
R / Rfree (%)	17.4 / 23.5

The binding sites of Iron atom in the Crystal Structure of P450CAM (pdb code 3wrk). 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 P450CAM, PDB code: 3wrk:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of 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 P450CAM within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:16.9 occ:1.00 FE A:HEM501 0.0 16.9 1.0 NC A:HEM501 1.9 23.9 1.0 NA A:HEM501 2.0 17.2 1.0 NB A:HEM501 2.1 11.7 1.0 ND A:HEM501 2.1 18.1 1.0 SG A:CYS357 2.3 18.5 1.0 C1C A:HEM501 2.9 15.1 1.0 C4C A:HEM501 2.9 15.2 1.0 C1A A:HEM501 3.0 12.5 1.0 C4A A:HEM501 3.0 13.4 1.0 C4B A:HEM501 3.1 16.7 1.0 C1D A:HEM501 3.1 21.3 1.0 CB A:CYS357 3.1 18.6 1.0 C1B A:HEM501 3.2 11.9 1.0 C4D A:HEM501 3.2 19.2 1.0 CHC A:HEM501 3.4 15.2 1.0 CHD A:HEM501 3.5 16.6 1.0 CHB A:HEM501 3.5 16.1 1.0 CHA A:HEM501 3.6 15.7 1.0 CA A:CYS357 4.0 12.5 1.0 C5 A:CAM502 4.0 22.8 0.6 C3C A:HEM501 4.2 13.8 1.0 C2C A:HEM501 4.2 12.7 1.0 C2A A:HEM501 4.3 19.2 1.0 C3A A:HEM501 4.3 12.6 1.0 O A:GLY248 4.4 18.4 1.0 C3B A:HEM501 4.4 19.0 1.0 C2D A:HEM501 4.5 20.7 1.0 C4 A:CAM502 4.5 20.6 0.6 C2B A:HEM501 4.5 14.9 1.0 C3D A:HEM501 4.5 15.0 1.0 N A:GLY359 4.6 17.1 1.0 C A:CYS357 4.7 17.5 1.0 N A:LEU358 4.8 16.3 1.0 CA A:GLY359 5.0 11.6 1.0

Iron binding site 2 out of 2 in the Crystal Structure of 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 P450CAM within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe501 b:16.0 occ:1.00 FE D:HEM501 0.0 16.0 1.0 NC D:HEM501 2.0 20.9 1.0 NA D:HEM501 2.0 19.4 1.0 NB D:HEM501 2.1 12.7 1.0 ND D:HEM501 2.1 17.7 1.0 SG D:CYS357 2.4 15.5 1.0 C1C D:HEM501 2.9 15.1 1.0 C4C D:HEM501 3.0 12.3 1.0 C1A D:HEM501 3.0 11.7 1.0 C4A D:HEM501 3.0 11.1 1.0 C4B D:HEM501 3.1 14.4 1.0 C1D D:HEM501 3.1 15.6 1.0 CB D:CYS357 3.2 17.1 1.0 C1B D:HEM501 3.2 11.6 1.0 C4D D:HEM501 3.2 16.1 1.0 CHC D:HEM501 3.4 13.1 1.0 CHD D:HEM501 3.5 15.5 1.0 CHB D:HEM501 3.5 13.7 1.0 CHA D:HEM501 3.5 14.6 1.0 C10 D:CAM502 3.7 22.9 0.7 CA D:CYS357 4.0 13.4 1.0 C3C D:HEM501 4.2 10.2 1.0 C2C D:HEM501 4.2 13.1 1.0 C2A D:HEM501 4.3 15.4 1.0 C3A D:HEM501 4.3 10.0 1.0 C3B D:HEM501 4.4 16.7 1.0 O D:GLY248 4.4 15.7 1.0 C2D D:HEM501 4.5 18.8 1.0 C2B D:HEM501 4.5 12.6 1.0 C3D D:HEM501 4.5 15.1 1.0 N D:GLY359 4.5 17.7 1.0 C D:CYS357 4.7 17.6 1.0 N D:LEU358 4.8 15.4 1.0 C6 D:CAM502 4.8 17.4 0.7 C1 D:CAM502 4.8 19.2 0.7 CA D:GLY359 4.9 12.8 1.0

A.Kishimoto, K.Takagi, A.Amano, K.Sakurai, Y.Katayama, R.Aminaka, M.Ito, T.Mizushima, H.Shimada. Structure of P450CAM Intermedite To Be Published.