Iron in PDB 2a1n: Crystal Structure of Ferrous Dioxygen Complex of D251N Cytochrome P450CAM

All present enzymatic activity of Crystal Structure of Ferrous Dioxygen Complex of D251N Cytochrome P450CAM:
1.14.15.1;

The structure of Crystal Structure of Ferrous Dioxygen Complex of D251N Cytochrome P450CAM, PDB code: 2a1n was solved by S.Nagano, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.51 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	67.010, 62.130, 95.060, 90.00, 90.40, 90.00
R / Rfree (%)	19.1 / 23.5

The structure of Crystal Structure of Ferrous Dioxygen Complex of D251N Cytochrome P450CAM also contains other interesting chemical elements:

Potassium

(K)

3 atoms

The binding sites of Iron atom in the Crystal Structure of Ferrous Dioxygen Complex of D251N Cytochrome P450CAM (pdb code 2a1n). 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 Ferrous Dioxygen Complex of D251N Cytochrome P450CAM, PDB code: 2a1n:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Ferrous Dioxygen Complex of D251N 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 Ferrous Dioxygen Complex of D251N Cytochrome P450CAM within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe417 b:13.8 occ:1.00 FE A:HEM417 0.0 13.8 1.0 O1 A:OXY420 1.6 19.7 0.8 NB A:HEM417 2.0 11.7 1.0 NC A:HEM417 2.0 13.6 1.0 ND A:HEM417 2.0 13.4 1.0 NA A:HEM417 2.0 11.5 1.0 SG A:CYS357 2.3 12.8 1.0 O2 A:OXY420 2.7 24.0 0.8 C4B A:HEM417 3.0 12.9 1.0 C4C A:HEM417 3.0 12.9 1.0 C1C A:HEM417 3.0 11.6 1.0 C1B A:HEM417 3.0 12.8 1.0 C1D A:HEM417 3.0 12.8 1.0 C4D A:HEM417 3.1 11.0 1.0 C4A A:HEM417 3.1 9.8 1.0 C1A A:HEM417 3.1 11.8 1.0 CB A:CYS357 3.4 14.9 1.0 CHD A:HEM417 3.4 13.0 1.0 CHC A:HEM417 3.4 10.3 1.0 CHB A:HEM417 3.4 10.9 1.0 CHA A:HEM417 3.5 12.0 1.0 CA A:CYS357 4.1 11.8 1.0 C3B A:HEM417 4.3 9.5 1.0 C2B A:HEM417 4.3 11.4 1.0 C2C A:HEM417 4.3 12.1 1.0 C3C A:HEM417 4.3 14.1 1.0 C3A A:HEM417 4.3 8.7 1.0 C3D A:HEM417 4.3 12.4 1.0 C2D A:HEM417 4.3 12.2 1.0 C2A A:HEM417 4.3 8.1 1.0 C5 A:CAM1422 4.4 17.0 1.0 N A:GLY359 4.6 11.2 1.0 N A:LEU358 4.8 12.8 1.0 C A:CYS357 4.8 14.0 1.0 C9 A:CAM1422 4.8 10.6 1.0 CG2 A:THR252 4.8 22.4 1.0 C4 A:CAM1422 5.0 14.8 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Ferrous Dioxygen Complex of D251N 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 Ferrous Dioxygen Complex of D251N Cytochrome P450CAM within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe417 b:18.1 occ:1.00 FE B:HEM417 0.0 18.1 1.0 O1 B:OXY420 1.6 19.6 1.0 NB B:HEM417 2.0 17.1 1.0 ND B:HEM417 2.0 15.4 1.0 NC B:HEM417 2.0 14.9 1.0 NA B:HEM417 2.0 13.6 1.0 SG B:CYS357 2.3 16.2 1.0 O2 B:OXY420 2.7 27.1 1.0 C1B B:HEM417 3.0 17.1 1.0 C4B B:HEM417 3.0 15.9 1.0 C1C B:HEM417 3.0 13.6 1.0 C4A B:HEM417 3.1 13.1 1.0 C4D B:HEM417 3.1 16.5 1.0 C1D B:HEM417 3.1 17.1 1.0 C1A B:HEM417 3.1 14.4 1.0 C4C B:HEM417 3.1 17.8 1.0 CB B:CYS357 3.3 18.2 1.0 CHC B:HEM417 3.4 12.8 1.0 CHB B:HEM417 3.4 14.7 1.0 CHA B:HEM417 3.5 16.1 1.0 CHD B:HEM417 3.5 14.3 1.0 CA B:CYS357 4.1 15.1 1.0 C2B B:HEM417 4.3 16.4 1.0 C3B B:HEM417 4.3 16.0 1.0 C2C B:HEM417 4.3 16.6 1.0 C3D B:HEM417 4.3 16.5 1.0 C3A B:HEM417 4.3 12.7 1.0 C2D B:HEM417 4.3 16.2 1.0 C2A B:HEM417 4.3 14.5 1.0 C3C B:HEM417 4.3 16.6 1.0 C5 B:CAM2422 4.4 21.1 1.0 N B:GLY359 4.6 13.6 1.0 C9 B:CAM2422 4.7 20.1 1.0 C B:CYS357 4.8 15.2 1.0 N B:LEU358 4.8 13.2 1.0

S.Nagano, T.L.Poulos. Crystallographic Study on the Dioxygen Complex of Wild-Type and Mutant Cytochrome P450CAM. Implications For the Dioxygen Activation Mechanism J.Biol.Chem. V. 280 31659 2005.
ISSN: ISSN 0021-9258
PubMed: 15994329
DOI: 10.1074/JBC.M505261200