Iron in PDB 3w9c: Crystal Structure of the Electron Transfer Complex of Cytochrome P450CAM with Putidaredoxin

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

The structure of Crystal Structure of the Electron Transfer Complex of Cytochrome P450CAM with Putidaredoxin, PDB code: 3w9c was solved by Y.Kikui, Y.Hiruma, M.A.Hass, H.Koteishi, M.Ubbink, M.Nojiri, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	61.78 / 2.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	101.717, 77.991, 60.016, 90.00, 95.57, 90.00
R / Rfree (%)	18.5 / 25.1

The binding sites of Iron atom in the Crystal Structure of the Electron Transfer Complex of Cytochrome P450CAM with Putidaredoxin (pdb code 3w9c). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Crystal Structure of the Electron Transfer Complex of Cytochrome P450CAM with Putidaredoxin, PDB code: 3w9c:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the 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 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:18.3 occ:1.00 FE A:HEM501 0.0 18.3 1.0 NA A:HEM501 2.0 14.5 1.0 ND A:HEM501 2.0 16.9 1.0 NB A:HEM501 2.1 14.7 1.0 NC A:HEM501 2.1 15.5 1.0 SG A:CYS357 2.2 16.5 1.0 O3 A:GOL505 2.5 37.0 1.0 C1A A:HEM501 3.0 16.3 1.0 C4A A:HEM501 3.0 15.2 1.0 C4D A:HEM501 3.0 18.4 1.0 C1D A:HEM501 3.0 18.9 1.0 C4B A:HEM501 3.1 14.5 1.0 C1B A:HEM501 3.1 12.8 1.0 C4C A:HEM501 3.1 15.6 1.0 C1C A:HEM501 3.1 14.9 1.0 CHA A:HEM501 3.3 15.0 1.0 CB A:CYS357 3.3 19.1 1.0 CHB A:HEM501 3.4 11.8 1.0 CHD A:HEM501 3.5 18.2 1.0 CHC A:HEM501 3.5 13.3 1.0 C3 A:GOL505 3.6 41.0 1.0 O A:GLY248 4.0 27.7 1.0 CA A:CYS357 4.1 19.6 1.0 C2A A:HEM501 4.2 18.4 1.0 C3A A:HEM501 4.2 16.4 1.0 C3D A:HEM501 4.2 20.1 1.0 C2D A:HEM501 4.3 21.6 1.0 C2B A:HEM501 4.3 13.7 1.0 C3B A:HEM501 4.3 13.6 1.0 C3C A:HEM501 4.3 15.5 1.0 C2C A:HEM501 4.3 14.8 1.0 C2 A:GOL505 4.4 41.5 1.0 N A:GLY359 4.7 18.7 1.0 C A:GLY248 4.9 27.6 1.0 C A:CYS357 4.9 20.0 1.0 OG1 A:THR252 4.9 29.1 1.0

Iron binding site 2 out of 3 in the 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 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:28.9 occ:1.00 FE1 B:FES201 0.0 28.9 1.0 S1 B:FES201 2.2 30.3 1.0 S2 B:FES201 2.2 20.6 1.0 SG B:CYS39 2.2 20.0 1.0 SG B:CYS45 2.2 23.8 1.0 FE2 B:FES201 2.8 26.1 1.0 CB B:CYS45 3.4 26.8 1.0 CB B:CYS39 3.4 20.6 1.0 N B:CYS45 3.6 26.9 1.0 N B:CYS39 3.7 21.0 1.0 N B:SER44 4.0 26.6 1.0 CA B:CYS45 4.0 27.0 1.0 CA B:CYS39 4.0 20.8 1.0 N B:ALA46 4.1 27.5 1.0 N B:GLY41 4.2 21.7 1.0 N B:ALA43 4.4 26.9 1.0 SG B:CYS86 4.4 25.4 1.0 CA B:GLY41 4.5 23.4 1.0 C B:CYS39 4.5 21.4 1.0 C B:CYS45 4.5 28.1 1.0 C B:SER44 4.5 26.9 1.0 N B:GLY40 4.5 22.3 1.0 CA B:ALA43 4.5 26.8 1.0 SG B:CYS48 4.6 25.0 1.0 N B:THR47 4.7 25.7 1.0 C B:ALA43 4.7 26.6 1.0 C B:GLY37 4.7 21.5 1.0 OG1 B:THR47 4.7 20.2 1.0 CA B:SER44 4.8 26.4 1.0 N B:ASP38 4.8 22.2 1.0 N B:SER42 4.9 24.8 1.0 C B:ASP38 4.9 21.5 1.0 O B:GLY37 4.9 20.6 1.0

Iron binding site 3 out of 3 in the 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 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:26.1 occ:1.00 FE2 B:FES201 0.0 26.1 1.0 S2 B:FES201 2.2 20.6 1.0 S1 B:FES201 2.2 30.3 1.0 SG B:CYS48 2.3 25.0 1.0 SG B:CYS86 2.3 25.4 1.0 FE1 B:FES201 2.8 28.9 1.0 CB B:CYS86 3.2 26.8 1.0 CB B:CYS48 3.3 23.5 1.0 N B:CYS86 4.1 27.1 1.0 CA B:CYS86 4.2 26.7 1.0 CA B:GLY41 4.4 23.4 1.0 SG B:CYS45 4.4 23.8 1.0 CA B:ALA43 4.4 26.8 1.0 N B:ALA43 4.5 26.9 1.0 N B:CYS48 4.5 24.1 1.0 CA B:CYS48 4.5 24.6 1.0 CB B:LEU84 4.5 27.1 1.0 SG B:CYS39 4.5 20.0 1.0 CD1 B:LEU84 4.9 27.8 1.0 C B:GLY41 4.9 24.4 1.0 N B:GLY41 4.9 21.7 1.0 CG B:MET24 5.0 23.3 1.0

Y.Hiruma, M.A.Hass, Y.Kikui, W.M.Liu, B.Olmez, S.P.Skinner, A.Blok, A.Kloosterman, H.Koteishi, F.Lohr, H.Schwalbe, M.Nojiri, M.Ubbink. The Structure of the Cytochrome P450CAM-Putidaredoxin Complex Determined By Paramagnetic uc(Nmr) Spectroscopy and Crystallography. J.Mol.Biol. 2013.
ISSN: ESSN 1089-8638
PubMed: 23856620
DOI: 10.1016/J.JMB.2013.07.006