Iron in PDB 5gxg: High-Resolution Crystal Structure of the Electron Transfer Complex of Cytochrome P450CAM with Putidaredoxin

All present enzymatic activity of High-Resolution Crystal Structure of the Electron Transfer Complex of Cytochrome P450CAM with Putidaredoxin:
1.14.15.1;

The structure of High-Resolution Crystal Structure of the Electron Transfer Complex of Cytochrome P450CAM with Putidaredoxin, PDB code: 5gxg was solved by Y.Kikui, Y.Hiruma, M.Ubbink, M.Nojiri, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.66 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	101.490, 77.956, 59.968, 90.00, 95.51, 90.00
R / Rfree (%)	15.6 / 19.2

The binding sites of Iron atom in the High-Resolution Crystal Structure of the Electron Transfer Complex of Cytochrome P450CAM with Putidaredoxin (pdb code 5gxg). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the High-Resolution Crystal Structure of the Electron Transfer Complex of Cytochrome P450CAM with Putidaredoxin, PDB code: 5gxg:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the High-Resolution Crystal Structure of the Electron Transfer Complex of Cytochrome P450CAM with Putidaredoxin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of High-Resolution Crystal Structure of the Electron Transfer Complex of Cytochrome P450CAM with Putidaredoxin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:17.3 occ:1.00 FE A:HEM501 0.0 17.3 1.0 ND A:HEM501 2.0 17.6 1.0 NA A:HEM501 2.0 15.0 1.0 NC A:HEM501 2.0 16.3 1.0 NB A:HEM501 2.0 16.9 1.0 O A:HOH653 2.1 19.6 1.0 SG A:CYS357 2.3 17.0 1.0 C1D A:HEM501 3.0 17.9 1.0 C4D A:HEM501 3.0 18.1 1.0 C4B A:HEM501 3.0 16.5 1.0 C1C A:HEM501 3.0 16.9 1.0 C4C A:HEM501 3.0 18.0 1.0 C1A A:HEM501 3.1 16.5 1.0 C1B A:HEM501 3.1 16.2 1.0 C4A A:HEM501 3.1 15.4 1.0 CB A:CYS357 3.4 16.1 1.0 CHC A:HEM501 3.4 17.6 1.0 CHD A:HEM501 3.4 19.1 1.0 CHA A:HEM501 3.4 18.0 1.0 CHB A:HEM501 3.5 15.6 1.0 O A:GLY248 4.1 24.5 1.0 CA A:CYS357 4.1 17.0 1.0 O3 A:DTT506 4.2 34.7 1.0 C2B A:HEM501 4.2 16.4 1.0 C3C A:HEM501 4.2 20.9 1.0 C3B A:HEM501 4.2 16.9 1.0 C2D A:HEM501 4.2 18.3 1.0 C2A A:HEM501 4.3 15.2 1.0 C3D A:HEM501 4.3 17.8 1.0 C2C A:HEM501 4.3 18.1 1.0 C3A A:HEM501 4.3 15.4 1.0 N A:GLY359 4.7 17.5 1.0 C A:CYS357 4.9 17.1 1.0 OG1 A:THR252 4.9 23.1 1.0 C A:GLY248 4.9 22.7 1.0 O2 A:DTT506 4.9 50.3 1.0 N A:LEU358 5.0 18.9 1.0 CA A:GLY359 5.0 16.7 1.0

Iron binding site 2 out of 3 in the High-Resolution Crystal Structure of the Electron Transfer Complex of Cytochrome P450CAM with Putidaredoxin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of High-Resolution Crystal Structure of the Electron Transfer Complex of Cytochrome P450CAM with Putidaredoxin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:18.8 occ:1.00 FE1 B:FES201 0.0 18.8 1.0 S2 B:FES201 2.2 18.6 1.0 S1 B:FES201 2.3 19.4 1.0 SG B:CYS39 2.3 18.8 1.0 SG B:CYS45 2.3 19.3 1.0 FE2 B:FES201 2.7 19.6 1.0 CB B:CYS39 3.5 18.6 1.0 CB B:CYS45 3.5 19.7 1.0 N B:CYS45 3.6 18.7 1.0 N B:CYS39 3.7 17.4 1.0 CA B:CYS45 4.0 19.1 1.0 CA B:CYS39 4.1 18.6 1.0 N B:SER44 4.1 19.0 1.0 N B:ALA46 4.2 24.6 1.0 N B:GLY41 4.3 19.4 1.0 SG B:CYS86 4.5 20.4 1.0 C B:CYS45 4.5 23.0 1.0 C B:SER44 4.5 21.7 1.0 C B:CYS39 4.5 20.9 1.0 N B:ALA43 4.5 18.8 1.0 N B:GLY40 4.5 20.5 1.0 SG B:CYS48 4.6 19.9 1.0 CA B:GLY41 4.6 19.9 1.0 N B:ASP38 4.6 17.0 1.0 N B:SER42 4.7 20.4 1.0 C B:GLY37 4.7 15.6 1.0 OG1 B:THR47 4.7 16.1 1.0 CA B:ALA43 4.8 19.8 1.0 N B:THR47 4.8 16.9 1.0 CA B:SER44 4.8 17.9 1.0 C B:ASP38 4.9 17.8 1.0 CA B:GLY37 4.9 16.5 1.0 C B:ALA43 4.9 21.1 1.0

Iron binding site 3 out of 3 in the High-Resolution Crystal Structure of the Electron Transfer Complex of Cytochrome P450CAM with Putidaredoxin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of High-Resolution Crystal Structure of the Electron Transfer Complex of Cytochrome P450CAM with Putidaredoxin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:19.6 occ:1.00 FE2 B:FES201 0.0 19.6 1.0 S2 B:FES201 2.2 18.6 1.0 S1 B:FES201 2.2 19.4 1.0 SG B:CYS48 2.3 19.9 1.0 SG B:CYS86 2.3 20.4 1.0 FE1 B:FES201 2.7 18.8 1.0 CB B:CYS86 3.2 17.6 1.0 CB B:CYS48 3.4 18.4 1.0 N B:CYS86 4.2 16.6 1.0 CA B:CYS86 4.3 18.8 1.0 CA B:GLY41 4.5 19.9 1.0 SG B:CYS39 4.5 18.8 1.0 CB B:LEU84 4.5 24.9 1.0 N B:CYS48 4.5 16.4 1.0 CA B:CYS48 4.5 16.9 1.0 SG B:CYS45 4.5 19.3 1.0 N B:ALA43 4.6 18.8 1.0 CA B:ALA43 4.8 19.8 1.0 N B:GLY41 4.8 19.4 1.0 C B:GLY41 4.9 21.1 1.0 CD1 B:LEU84 5.0 26.3 1.0 CG B:MET24 5.0 16.9 1.0

W.Andraojc, Y.Hiruma, W.M.Liu, E.Ravera, M.Nojiri, G.Parigi, C.Luchinat, M.Ubbink. Identification of Productive and Futile Encounters in An Electron Transfer Protein Complex Proc. Natl. Acad. Sci. V. 114 E1840 2017U.S.A..
ISSN: ESSN 1091-6490
PubMed: 28223532
DOI: 10.1073/PNAS.1616813114