Iron in PDB 6j85: Crystal Structure of Hind Apo

The structure of Crystal Structure of Hind Apo, PDB code: 6j85 was solved by H.Fei, T.Mori, I.Abe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.16 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.356, 152.647, 56.394, 90.00, 115.85, 90.00
R / Rfree (%)	17 / 22.6

The binding sites of Iron atom in the Crystal Structure of Hind Apo (pdb code 6j85). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Hind Apo, PDB code: 6j85:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Hind Apo


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 Hind Apo within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:20.4 occ:1.00 FE A:HEM501 0.0 20.4 1.0 NC A:HEM501 2.0 23.4 1.0 ND A:HEM501 2.0 22.7 1.0 NA A:HEM501 2.1 22.7 1.0 NB A:HEM501 2.1 19.1 1.0 O A:HOH686 2.4 18.1 1.0 SG A:CYS347 2.5 25.3 1.0 C4C A:HEM501 3.0 21.7 1.0 C1D A:HEM501 3.0 20.1 1.0 C4D A:HEM501 3.1 21.7 1.0 C1C A:HEM501 3.1 23.2 1.0 C4A A:HEM501 3.1 20.1 1.0 C1A A:HEM501 3.1 21.0 1.0 C4B A:HEM501 3.1 21.0 1.0 C1B A:HEM501 3.2 20.3 1.0 CHD A:HEM501 3.4 21.5 1.0 CHA A:HEM501 3.5 21.1 1.0 CHC A:HEM501 3.5 22.9 1.0 CHB A:HEM501 3.5 18.7 1.0 CB A:CYS347 3.5 18.9 1.0 CA A:CYS347 4.1 20.2 1.0 C3C A:HEM501 4.2 22.2 1.0 C2D A:HEM501 4.3 21.0 1.0 C2C A:HEM501 4.3 21.1 1.0 C3D A:HEM501 4.3 21.1 1.0 C3A A:HEM501 4.3 20.5 1.0 C3B A:HEM501 4.4 18.2 1.0 C2A A:HEM501 4.4 18.6 1.0 C2B A:HEM501 4.4 22.0 1.0 CB A:ALA235 4.7 20.3 1.0 N A:LEU348 4.7 23.3 1.0 C A:CYS347 4.7 23.5 1.0 N A:GLY349 4.8 19.9 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Hind Apo


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 Hind Apo within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:25.2 occ:1.00 FE B:HEM501 0.0 25.2 1.0 NB B:HEM501 2.0 21.7 1.0 NA B:HEM501 2.0 21.8 1.0 ND B:HEM501 2.1 20.4 1.0 NC B:HEM501 2.1 22.3 1.0 O B:HOH712 2.5 19.9 1.0 SG B:CYS347 2.5 19.4 1.0 C4A B:HEM501 3.0 19.7 1.0 C1B B:HEM501 3.0 20.9 1.0 C1D B:HEM501 3.0 18.7 1.0 C4C B:HEM501 3.1 21.5 1.0 C4B B:HEM501 3.1 22.6 1.0 C1A B:HEM501 3.1 18.8 1.0 C4D B:HEM501 3.1 21.1 1.0 C1C B:HEM501 3.2 23.6 1.0 CHB B:HEM501 3.4 18.6 1.0 CHD B:HEM501 3.4 20.4 1.0 CHA B:HEM501 3.5 20.9 1.0 CHC B:HEM501 3.5 23.3 1.0 CB B:CYS347 3.5 17.6 1.0 CA B:CYS347 4.1 17.7 1.0 C3A B:HEM501 4.2 19.4 1.0 C2B B:HEM501 4.3 21.7 1.0 C2A B:HEM501 4.3 18.1 1.0 C3B B:HEM501 4.3 19.5 1.0 C2D B:HEM501 4.3 23.2 1.0 C3C B:HEM501 4.3 20.2 1.0 C3D B:HEM501 4.3 21.8 1.0 C2C B:HEM501 4.4 19.9 1.0 N B:LEU348 4.6 19.9 1.0 CB B:ALA235 4.7 21.4 1.0 N B:GLY349 4.7 19.4 1.0 C B:CYS347 4.8 22.3 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.