Iron in PDB 6j86: Crystal Structure of Hind with Nmft

The structure of Crystal Structure of Hind with Nmft, PDB code: 6j86 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)	48.07 / 2.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.320, 152.578, 56.336, 90.00, 115.96, 90.00
R / Rfree (%)	16.3 / 24.5

The binding sites of Iron atom in the Crystal Structure of Hind with Nmft (pdb code 6j86). 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 with Nmft, PDB code: 6j86:
Jump to Iron binding site number: 1; 2;

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


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 with Nmft within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:19.4 occ:1.00 FE A:HEM501 0.0 19.4 1.0 ND A:HEM501 2.0 18.8 1.0 NC A:HEM501 2.0 21.9 1.0 NB A:HEM501 2.1 22.6 1.0 NA A:HEM501 2.1 20.1 1.0 SG A:CYS347 2.4 18.9 1.0 O A:HOH618 2.5 20.5 1.0 C1D A:HEM501 3.0 19.5 1.0 C4C A:HEM501 3.0 20.1 1.0 C4D A:HEM501 3.0 17.2 1.0 C1C A:HEM501 3.0 23.7 1.0 C4B A:HEM501 3.1 19.4 1.0 C1A A:HEM501 3.1 18.0 1.0 C1B A:HEM501 3.2 20.6 1.0 C4A A:HEM501 3.2 18.2 1.0 CHD A:HEM501 3.4 18.5 1.0 CHC A:HEM501 3.4 19.9 1.0 CHA A:HEM501 3.4 17.9 1.0 CB A:CYS347 3.5 14.7 1.0 CHB A:HEM501 3.6 18.3 1.0 C2D A:HEM501 4.2 18.6 1.0 C3C A:HEM501 4.2 21.4 1.0 C3D A:HEM501 4.2 18.7 1.0 CA A:CYS347 4.2 15.0 1.0 C2C A:HEM501 4.3 21.5 1.0 C3B A:HEM501 4.3 18.5 1.0 C2B A:HEM501 4.4 19.8 1.0 C2A A:HEM501 4.4 15.5 1.0 C3A A:HEM501 4.4 17.4 1.0 CB A:ALA235 4.4 22.6 1.0 C A:CYS347 4.7 15.6 1.0 NAJ A:B9L502 4.8 34.4 1.0 N A:GLY349 4.8 16.3 1.0 N A:LEU348 4.9 16.1 1.0 CAD A:B9L502 5.0 26.6 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Hind with Nmft


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 with Nmft within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:18.3 occ:1.00 FE B:HEM501 0.0 18.3 1.0 NB B:HEM501 2.0 20.9 1.0 NC B:HEM501 2.0 20.1 1.0 ND B:HEM501 2.1 21.3 1.0 NA B:HEM501 2.1 20.9 1.0 OAP B:B9L502 2.3 24.6 1.0 SG B:CYS347 2.5 17.3 1.0 CAO B:B9L502 2.9 23.2 1.0 C4B B:HEM501 3.0 19.0 1.0 C1C B:HEM501 3.0 24.6 1.0 C4C B:HEM501 3.0 19.5 1.0 C1B B:HEM501 3.0 19.5 1.0 C1D B:HEM501 3.1 18.2 1.0 C4D B:HEM501 3.1 20.9 1.0 C1A B:HEM501 3.1 18.4 1.0 C4A B:HEM501 3.1 17.1 1.0 CHC B:HEM501 3.4 22.0 1.0 CHD B:HEM501 3.4 18.6 1.0 CHB B:HEM501 3.5 17.5 1.0 CHA B:HEM501 3.5 16.7 1.0 CB B:CYS347 3.5 16.6 1.0 CAN B:B9L502 4.1 28.5 1.0 CA B:CYS347 4.2 17.0 1.0 C3B B:HEM501 4.2 18.4 1.0 C2B B:HEM501 4.2 19.8 1.0 C3C B:HEM501 4.2 17.3 1.0 C2C B:HEM501 4.2 19.5 1.0 C2D B:HEM501 4.3 19.8 1.0 C3D B:HEM501 4.3 19.5 1.0 C2A B:HEM501 4.3 15.3 1.0 C3A B:HEM501 4.4 17.8 1.0 CAM B:B9L502 4.5 28.9 1.0 CB B:ALA235 4.7 20.2 1.0 N B:GLY349 4.7 15.5 1.0 C B:CYS347 4.7 19.2 1.0 N B:LEU348 4.8 18.6 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.