Iron in PDB 6j84: Crystal Structure of Tleb with Hydroxyl Analog

The structure of Crystal Structure of Tleb with Hydroxyl Analog, PDB code: 6j84 was solved by H.Nakamura, T.Mori, I.Abe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.25 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.808, 84.241, 112.901, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 22.6

The binding sites of Iron atom in the Crystal Structure of Tleb with Hydroxyl Analog (pdb code 6j84). 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 Crystal Structure of Tleb with Hydroxyl Analog, PDB code: 6j84:

Iron binding site 1 out of 1 in the Crystal Structure of Tleb with Hydroxyl Analog


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 Tleb with Hydroxyl Analog within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:17.9 occ:1.00 FE A:HEM401 0.0 17.9 1.0 NC A:HEM401 2.0 14.9 1.0 ND A:HEM401 2.1 16.4 1.0 NB A:HEM401 2.1 13.8 1.0 NA A:HEM401 2.1 15.9 1.0 SG A:CYS347 2.4 16.1 1.0 O A:HOH542 2.9 24.4 1.0 C4C A:HEM401 3.0 15.1 1.0 C1D A:HEM401 3.0 14.9 1.0 C1C A:HEM401 3.1 14.8 1.0 C4A A:HEM401 3.1 12.4 1.0 C4B A:HEM401 3.1 12.7 1.0 C1B A:HEM401 3.1 13.6 1.0 C4D A:HEM401 3.1 17.9 1.0 C1A A:HEM401 3.1 13.8 1.0 CB A:CYS347 3.3 16.1 1.0 CHD A:HEM401 3.3 14.0 1.0 CHB A:HEM401 3.5 14.5 1.0 CHC A:HEM401 3.5 15.0 1.0 CHA A:HEM401 3.5 15.2 1.0 CA A:CYS347 3.9 18.0 1.0 C3C A:HEM401 4.2 13.7 1.0 C2D A:HEM401 4.3 15.4 1.0 C2C A:HEM401 4.3 13.6 1.0 C3B A:HEM401 4.3 15.2 1.0 C3D A:HEM401 4.3 17.2 1.0 C3A A:HEM401 4.3 15.6 1.0 C2B A:HEM401 4.3 15.1 1.0 C2A A:HEM401 4.3 13.6 1.0 C A:CYS347 4.7 19.5 1.0 CB A:ALA235 4.7 14.4 1.0 N A:GLY349 4.8 20.7 1.0 N A:LEU348 4.9 17.3 1.0

H.Fei, T.Mori, I.Morita, H.Nakamura, M.Alblova, S.Hoshino, T.Awakawa, I.Abe. Molecular Basis For the Intramolecular C(SP2)-H Amination Reaction By P450 Enzyme in the Biosynthesis of Indolactams To Be Published.