Iron in PDB 6kbh: Crystal Structure of An Intact Type IV Self-Sufficient Cytochrome P450 Monooxygenase

The structure of Crystal Structure of An Intact Type IV Self-Sufficient Cytochrome P450 Monooxygenase, PDB code: 6kbh was solved by R.Gong, L.J.Wu, Y.Zhang, Z.Liu, S.Dou, R.G.Zhang, J.H.Xu, C.Tang, J.H.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.89 / 2.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	131.762, 55.484, 135.960, 90.00, 98.12, 90.00
R / Rfree (%)	23.6 / 27.7

The binding sites of Iron atom in the Crystal Structure of An Intact Type IV Self-Sufficient Cytochrome P450 Monooxygenase (pdb code 6kbh). 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 An Intact Type IV Self-Sufficient Cytochrome P450 Monooxygenase, PDB code: 6kbh:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Crystal Structure of An Intact Type IV Self-Sufficient Cytochrome P450 Monooxygenase


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 An Intact Type IV Self-Sufficient Cytochrome P450 Monooxygenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe802 b:75.7 occ:1.00 FE A:HEM802 0.0 75.7 1.0 NB A:HEM802 1.9 67.4 1.0 NC A:HEM802 2.0 75.2 1.0 NA A:HEM802 2.0 70.3 1.0 ND A:HEM802 2.0 64.8 1.0 SG A:CYS393 2.3 63.0 1.0 C4A A:HEM802 2.9 54.1 1.0 C1C A:HEM802 2.9 75.7 1.0 C1B A:HEM802 3.0 62.9 1.0 C4B A:HEM802 3.1 64.0 1.0 C4C A:HEM802 3.1 70.3 1.0 C1A A:HEM802 3.1 72.7 1.0 C1D A:HEM802 3.2 63.4 1.0 O A:HOH906 3.2 64.2 1.0 C4D A:HEM802 3.2 67.0 1.0 CB A:CYS393 3.3 61.0 1.0 CHB A:HEM802 3.5 63.9 1.0 CHC A:HEM802 3.5 71.4 1.0 CHD A:HEM802 3.8 75.6 1.0 CHA A:HEM802 3.8 72.5 1.0 O A:ALA282 3.9 75.9 1.0 CA A:CYS393 4.1 66.2 1.0 C2C A:HEM802 4.2 69.6 1.0 C3A A:HEM802 4.3 62.3 1.0 C3C A:HEM802 4.3 75.0 1.0 C2B A:HEM802 4.3 72.7 1.0 C3B A:HEM802 4.3 59.5 1.0 C2A A:HEM802 4.4 58.5 1.0 C2D A:HEM802 4.5 60.7 1.0 C3D A:HEM802 4.5 66.2 1.0 CB A:ALA282 4.8 75.0 1.0 C A:ALA282 4.9 75.3 1.0 C A:CYS393 4.9 71.3 1.0

Iron binding site 2 out of 3 in the Crystal Structure of An Intact Type IV Self-Sufficient Cytochrome P450 Monooxygenase


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 An Intact Type IV Self-Sufficient Cytochrome P450 Monooxygenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe803 b:84.3 occ:1.00 FE1 A:FES803 0.0 84.3 1.0 S1 A:FES803 2.1 82.0 1.0 S2 A:FES803 2.1 82.0 1.0 SG A:CYS740 2.3 92.6 1.0 SG A:CYS735 2.3 95.0 1.0 FE2 A:FES803 3.0 83.4 1.0 N A:GLY741 3.4 89.2 1.0 CB A:CYS740 3.4 95.8 1.0 N A:CYS740 3.5 82.8 1.0 CB A:CYS735 3.5 92.4 1.0 N A:GLU736 3.6 99.2 1.0 CA A:CYS740 3.8 86.6 1.0 N A:CYS735 3.8 0.2 1.0 N A:ALA742 3.9 96.8 1.0 C A:CYS740 4.0 93.6 1.0 CA A:CYS735 4.1 89.4 1.0 N A:ILE739 4.3 78.8 1.0 C A:CYS735 4.3 94.2 1.0 CA A:GLY741 4.4 85.5 1.0 CA A:GLU736 4.5 0.8 1.0 C A:GLY741 4.5 93.6 1.0 C A:ILE739 4.6 93.6 1.0 SG A:CYS743 4.7 91.8 1.0 N A:GLY738 4.7 96.0 1.0 CB A:ALA742 4.7 89.5 1.0 N A:CYS743 4.7 91.9 1.0 SG A:CYS773 4.8 0.5 1.0 N A:ASP734 4.8 0.0 1.0 CA A:ALA742 4.8 95.0 1.0 C A:GLY738 4.9 75.5 1.0 C A:ASP734 5.0 0.7 1.0 CA A:GLY738 5.0 77.2 1.0 N A:GLU737 5.0 0.4 1.0

Iron binding site 3 out of 3 in the Crystal Structure of An Intact Type IV Self-Sufficient Cytochrome P450 Monooxygenase


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 An Intact Type IV Self-Sufficient Cytochrome P450 Monooxygenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe803 b:83.4 occ:1.00 FE2 A:FES803 0.0 83.4 1.0 S2 A:FES803 2.1 82.0 1.0 S1 A:FES803 2.1 82.0 1.0 SG A:CYS743 2.3 91.8 1.0 SG A:CYS773 2.3 0.5 1.0 FE1 A:FES803 3.0 84.3 1.0 CB A:CYS743 3.3 84.0 1.0 CB A:CYS773 3.3 97.0 1.0 N A:CYS773 4.1 95.6 1.0 CA A:GLU736 4.1 0.8 1.0 N A:GLU736 4.2 99.2 1.0 CA A:CYS773 4.3 95.2 1.0 SG A:CYS735 4.4 95.0 1.0 N A:CYS743 4.4 91.9 1.0 CE A:MET771 4.4 84.3 1.0 CA A:CYS743 4.4 83.2 1.0 N A:GLY738 4.6 96.0 1.0 CA A:GLY738 4.7 77.2 1.0 CB A:MET771 4.8 93.8 1.0 N A:THR772 4.9 99.3 1.0 C A:GLU736 4.9 0.8 1.0

R.Gong, L.J.Wu, Y.Zhang, Z.Liu, S.Dou, R.G.Zhang, J.H.Xu, C.Tang, J.H.Zhou. Crystal Structure of An Intact Type IV Self-Sufficient Cytochrome P450 Monooxygenase To Be Published.