Iron in PDB 1mpw: Molecular Recognition in (+)-A-Pinene Oxidation By Cytochrome P450CAM

All present enzymatic activity of Molecular Recognition in (+)-A-Pinene Oxidation By Cytochrome P450CAM:
1.14.15.1;

The structure of Molecular Recognition in (+)-A-Pinene Oxidation By Cytochrome P450CAM, PDB code: 1mpw was solved by S.G.Bell, X.Chen, R.J.Sowden, F.Xu, J.N.Willams, L.-L.Wong, Z.Rao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.28 / 2.34
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	66.903, 62.517, 95.698, 90.00, 90.28, 90.00
R / Rfree (%)	20.4 / 26.9

The structure of Molecular Recognition in (+)-A-Pinene Oxidation By Cytochrome P450CAM also contains other interesting chemical elements:

Potassium

(K)

2 atoms

The binding sites of Iron atom in the Molecular Recognition in (+)-A-Pinene Oxidation By Cytochrome P450CAM (pdb code 1mpw). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Molecular Recognition in (+)-A-Pinene Oxidation By Cytochrome P450CAM, PDB code: 1mpw:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Molecular Recognition in (+)-A-Pinene Oxidation By Cytochrome P450CAM


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Molecular Recognition in (+)-A-Pinene Oxidation By Cytochrome P450CAM within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe417 b:9.5 occ:1.00 FE A:HEM417 0.0 9.5 1.0 NC A:HEM417 2.0 11.2 1.0 NA A:HEM417 2.0 7.8 1.0 NB A:HEM417 2.0 8.8 1.0 ND A:HEM417 2.1 9.9 1.0 SG A:CYS357 2.3 12.9 1.0 C10 A:TMH1450 2.7 33.7 1.0 C4B A:HEM417 3.0 8.8 1.0 C4C A:HEM417 3.0 12.4 1.0 C4A A:HEM417 3.1 7.3 1.0 C1D A:HEM417 3.1 9.7 1.0 C1B A:HEM417 3.1 7.9 1.0 C1C A:HEM417 3.1 11.2 1.0 C4D A:HEM417 3.1 8.2 1.0 C1A A:HEM417 3.1 6.8 1.0 CB A:CYS357 3.3 12.5 1.0 CHC A:HEM417 3.4 10.0 1.0 CHD A:HEM417 3.4 11.9 1.0 CHB A:HEM417 3.5 5.9 1.0 CHA A:HEM417 3.5 6.7 1.0 C2 A:TMH1450 4.0 33.8 1.0 CA A:CYS357 4.0 13.6 1.0 C3C A:HEM417 4.3 14.5 1.0 C3B A:HEM417 4.3 8.2 1.0 C3D A:HEM417 4.3 8.8 1.0 C2B A:HEM417 4.3 7.3 1.0 C2D A:HEM417 4.3 10.3 1.0 C3A A:HEM417 4.3 5.6 1.0 C2C A:HEM417 4.3 12.6 1.0 C2A A:HEM417 4.3 6.7 1.0 N A:GLY359 4.4 12.1 1.0 C A:CYS357 4.6 13.9 1.0 N A:LEU358 4.6 12.1 1.0 C3 A:TMH1450 4.8 33.1 1.0 CA A:GLY359 4.8 12.0 1.0 C1 A:TMH1450 4.9 34.8 1.0

Iron binding site 2 out of 2 in the Molecular Recognition in (+)-A-Pinene Oxidation By Cytochrome P450CAM


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Molecular Recognition in (+)-A-Pinene Oxidation By Cytochrome P450CAM within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe417 b:20.0 occ:1.00 FE B:HEM417 0.0 20.0 1.0 NC B:HEM417 2.0 15.4 1.0 NA B:HEM417 2.0 15.9 1.0 NB B:HEM417 2.1 15.4 1.0 SG B:CYS357 2.1 20.3 1.0 ND B:HEM417 2.1 15.6 1.0 C4C B:HEM417 3.0 16.1 1.0 C4B B:HEM417 3.0 12.6 1.0 C1C B:HEM417 3.1 13.8 1.0 C1D B:HEM417 3.1 17.2 1.0 C4A B:HEM417 3.1 16.3 1.0 C1B B:HEM417 3.1 15.3 1.0 C4D B:HEM417 3.1 15.7 1.0 C1A B:HEM417 3.1 16.2 1.0 CB B:CYS357 3.3 19.6 1.0 C4 B:TMH450 3.4 30.6 1.0 CHC B:HEM417 3.4 13.1 1.0 CHD B:HEM417 3.5 15.2 1.0 CHA B:HEM417 3.5 17.9 1.0 CHB B:HEM417 3.5 15.0 1.0 CA B:CYS357 4.0 19.0 1.0 C5 B:TMH450 4.1 31.9 1.0 C2C B:HEM417 4.3 15.3 1.0 C3C B:HEM417 4.3 15.3 1.0 C3B B:HEM417 4.3 14.4 1.0 C2B B:HEM417 4.3 14.6 1.0 C3D B:HEM417 4.3 16.5 1.0 C2D B:HEM417 4.3 17.3 1.0 C2A B:HEM417 4.3 17.3 1.0 C3A B:HEM417 4.4 16.3 1.0 N B:GLY359 4.4 14.8 1.0 C B:CYS357 4.6 18.4 1.0 N B:LEU358 4.6 18.5 1.0 C3 B:TMH450 4.8 31.0 1.0 CA B:GLY359 4.8 16.0 1.0

S.G.Bell, X.Chen, R.J.Sowden, F.Xu, J.N.Williams, L.-L.Wong, Z.Rao. Molecular Recognition in (+)-Alpha-Pinene Oxidation By Cytochrome P450CAM J.Am.Chem.Soc. V. 125 705 2003.
ISSN: ISSN 0002-7863
PubMed: 12526670
DOI: 10.1021/JA028460A