Iron in PDB 6xa3: Structure of the Ligand Free P450 Monooxygenase Tami

The structure of Structure of the Ligand Free P450 Monooxygenase Tami, PDB code: 6xa3 was solved by S.A.Newmister, K.R.Srivastava, R.V.Espinoza, K.C.Haatveit, Y.Khatri, R.M.Martini, M.Garcia-Borras, L.M.Podust, K.N.Houk, D.H.Sherman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.16 / 2.96
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	154.498, 154.498, 91.824, 90, 90, 90
R / Rfree (%)	25.4 / 31.3

The binding sites of Iron atom in the Structure of the Ligand Free P450 Monooxygenase Tami (pdb code 6xa3). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Structure of the Ligand Free P450 Monooxygenase Tami, PDB code: 6xa3:

Iron binding site 1 out of 1 in the Structure of the Ligand Free P450 Monooxygenase Tami


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of the Ligand Free P450 Monooxygenase Tami within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:52.4 occ:1.00 FE A:HEM501 0.0 52.4 1.0 NC A:HEM501 2.0 47.1 1.0 NA A:HEM501 2.1 45.2 1.0 NB A:HEM501 2.1 44.4 1.0 ND A:HEM501 2.1 47.0 1.0 O A:HOH604 3.0 41.6 1.0 C4A A:HEM501 3.0 44.5 1.0 C1B A:HEM501 3.1 45.6 1.0 C4C A:HEM501 3.1 49.1 1.0 C1D A:HEM501 3.1 46.2 1.0 C1C A:HEM501 3.1 49.5 1.0 C1A A:HEM501 3.1 45.0 1.0 C4B A:HEM501 3.1 47.4 1.0 C4D A:HEM501 3.1 47.7 1.0 SG A:CYS359 3.1 60.4 1.0 CHB A:HEM501 3.4 45.8 1.0 CHD A:HEM501 3.4 47.9 1.0 CHC A:HEM501 3.5 50.4 1.0 CHA A:HEM501 3.5 47.6 1.0 O A:GLY248 3.6 53.6 1.0 CB A:CYS359 3.9 51.3 1.0 C3A A:HEM501 4.3 41.6 1.0 C2B A:HEM501 4.3 46.5 1.0 C3C A:HEM501 4.3 51.4 1.0 C2A A:HEM501 4.3 40.2 1.0 C2C A:HEM501 4.3 51.5 1.0 C2D A:HEM501 4.3 44.5 1.0 C3B A:HEM501 4.3 48.5 1.0 C3D A:HEM501 4.3 46.2 1.0 CA A:CYS359 4.4 47.4 1.0 C A:GLY248 4.7 54.0 1.0 CG2 A:THR252 4.8 52.9 1.0

S.A.Newmister, K.R.Srivastava, R.V.Espinoza, K.C.Haatveit, Y.Khatri, R.M.Martini, M.Garcia-Borras, L.M.Podust, K.N.Houk, D.H.Sherman. P450 Monooxygenase Tami To Be Published.