Iron in PDB 2nnb: The Q403K Mutnat Heme Domain of Flavocytochrome P450 BM3

All present enzymatic activity of The Q403K Mutnat Heme Domain of Flavocytochrome P450 BM3:
1.14.14.1;

The structure of The Q403K Mutnat Heme Domain of Flavocytochrome P450 BM3, PDB code: 2nnb was solved by J.P.Clark, J.L.R.Anderson, C.S.Miles, C.G.Mowat, G.A.Reid, S.K.Chapman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.753, 152.792, 61.504, 90.00, 94.67, 90.00
R / Rfree (%)	18.2 / 23.3

The binding sites of Iron atom in the The Q403K Mutnat Heme Domain of Flavocytochrome P450 BM3 (pdb code 2nnb). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the The Q403K Mutnat Heme Domain of Flavocytochrome P450 BM3, PDB code: 2nnb:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the The Q403K Mutnat Heme Domain of Flavocytochrome P450 BM3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Q403K Mutnat Heme Domain of Flavocytochrome P450 BM3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe472 b:17.8 occ:1.00 FE A:HEM472 0.0 17.8 1.0 NB A:HEM472 2.0 16.3 1.0 NC A:HEM472 2.0 19.1 1.0 NA A:HEM472 2.1 18.1 1.0 ND A:HEM472 2.1 15.5 1.0 SG A:CYS400 2.2 16.6 1.0 O A:HOH524 2.3 24.0 1.0 C1B A:HEM472 3.0 15.8 1.0 C4C A:HEM472 3.0 18.0 1.0 C4B A:HEM472 3.0 16.1 1.0 C1C A:HEM472 3.1 17.6 1.0 C4D A:HEM472 3.1 17.2 1.0 C1A A:HEM472 3.1 17.4 1.0 C4A A:HEM472 3.1 14.9 1.0 C1D A:HEM472 3.1 17.2 1.0 CB A:CYS400 3.2 16.8 1.0 CHD A:HEM472 3.4 16.4 1.0 CHA A:HEM472 3.4 15.8 1.0 CHB A:HEM472 3.4 17.1 1.0 CHC A:HEM472 3.5 14.1 1.0 CA A:CYS400 4.0 16.9 1.0 O A:HOH744 4.2 32.7 1.0 O A:ALA264 4.2 18.0 1.0 C2B A:HEM472 4.2 18.1 1.0 C3C A:HEM472 4.2 16.6 1.0 C3B A:HEM472 4.2 17.5 1.0 C2C A:HEM472 4.2 16.7 1.0 C3A A:HEM472 4.3 19.3 1.0 C3D A:HEM472 4.3 13.8 1.0 C2A A:HEM472 4.3 15.7 1.0 C2D A:HEM472 4.3 14.4 1.0 CB A:ALA264 4.7 18.4 1.0 C A:CYS400 4.8 17.6 1.0 N A:GLY402 4.8 15.8 1.0 C A:ALA264 4.8 19.4 1.0

Iron binding site 2 out of 2 in the The Q403K Mutnat Heme Domain of Flavocytochrome P450 BM3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Q403K Mutnat Heme Domain of Flavocytochrome P450 BM3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe472 b:20.1 occ:1.00 FE B:HEM472 0.0 20.1 1.0 NC B:HEM472 2.0 19.0 1.0 NB B:HEM472 2.0 18.8 1.0 NA B:HEM472 2.1 20.2 1.0 ND B:HEM472 2.1 20.2 1.0 SG B:CYS400 2.2 19.0 1.0 O B:HOH489 2.3 23.9 1.0 C4C B:HEM472 3.0 18.8 1.0 C4B B:HEM472 3.0 20.4 1.0 C1D B:HEM472 3.1 22.4 1.0 C1C B:HEM472 3.1 19.4 1.0 C4A B:HEM472 3.1 17.6 1.0 C1B B:HEM472 3.1 20.2 1.0 C4D B:HEM472 3.1 20.6 1.0 C1A B:HEM472 3.1 17.9 1.0 CB B:CYS400 3.3 16.7 1.0 CHD B:HEM472 3.4 20.3 1.0 CHC B:HEM472 3.4 17.7 1.0 CHA B:HEM472 3.5 16.4 1.0 CHB B:HEM472 3.5 14.1 1.0 CA B:CYS400 3.9 19.5 1.0 O B:HOH503 4.2 30.4 1.0 C3C B:HEM472 4.2 18.7 1.0 O B:ALA264 4.2 20.1 1.0 C3B B:HEM472 4.3 18.0 1.0 C2C B:HEM472 4.3 18.2 1.0 C3A B:HEM472 4.3 18.4 1.0 C2B B:HEM472 4.3 17.1 1.0 C3D B:HEM472 4.3 19.0 1.0 C2A B:HEM472 4.3 21.9 1.0 C2D B:HEM472 4.3 19.8 1.0 C B:CYS400 4.7 19.2 1.0 N B:GLY402 4.8 20.9 1.0 CB B:ALA264 4.8 21.0 1.0 C B:ALA264 4.8 18.6 1.0 N B:ILE401 4.9 18.6 1.0

J.P.Clark, J.L.R.Anderson, C.S.Miles, C.G.Mowat, G.A.Reid, S.K.Chapman. N/A N/A.