Iron in PDB 3tyw: Crystal Structure of CYP105N1 From Streptomyces Coelicolor A3(2)

The structure of Crystal Structure of CYP105N1 From Streptomyces Coelicolor A3(2), PDB code: 3tyw was solved by B.Zhao, M.R.Waterman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.90
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	134.537, 134.537, 230.580, 90.00, 90.00, 120.00
R / Rfree (%)	28.2 / 30.1

The binding sites of Iron atom in the Crystal Structure of CYP105N1 From Streptomyces Coelicolor A3(2) (pdb code 3tyw). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of CYP105N1 From Streptomyces Coelicolor A3(2), PDB code: 3tyw:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of CYP105N1 From Streptomyces Coelicolor A3(2)


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 CYP105N1 From Streptomyces Coelicolor A3(2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:40.2 occ:1.00 FE A:HEM501 0.0 40.2 1.0 ND A:HEM501 2.0 38.1 1.0 NC A:HEM501 2.0 38.6 1.0 NB A:HEM501 2.0 39.9 1.0 NA A:HEM501 2.0 39.1 1.0 SG A:CYS360 2.6 41.3 1.0 C4D A:HEM501 3.0 39.1 1.0 C1D A:HEM501 3.0 37.5 1.0 C1B A:HEM501 3.0 41.1 1.0 C1A A:HEM501 3.0 40.1 1.0 C1C A:HEM501 3.1 39.5 1.0 C4C A:HEM501 3.1 37.9 1.0 C4A A:HEM501 3.1 38.6 1.0 C4B A:HEM501 3.1 40.4 1.0 CHA A:HEM501 3.4 39.3 1.0 CHD A:HEM501 3.4 37.2 1.0 CHB A:HEM501 3.4 40.1 1.0 CHC A:HEM501 3.4 40.3 1.0 CB A:CYS360 3.5 39.1 1.0 CA A:CYS360 4.1 39.5 1.0 C3D A:HEM501 4.3 38.3 1.0 C2D A:HEM501 4.3 36.6 1.0 C3B A:HEM501 4.3 42.4 1.0 C2A A:HEM501 4.3 40.7 1.0 C2B A:HEM501 4.3 41.7 1.0 C3A A:HEM501 4.3 38.3 1.0 C3C A:HEM501 4.3 38.9 1.0 C2C A:HEM501 4.3 38.6 1.0 O A:ALA249 4.5 58.4 1.0 O A:HOH611 4.7 36.2 1.0 N A:VAL361 4.8 38.0 1.0 N A:GLY362 4.9 40.4 1.0 C A:CYS360 5.0 38.6 1.0

Iron binding site 2 out of 4 in the Crystal Structure of CYP105N1 From Streptomyces Coelicolor A3(2)


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 CYP105N1 From Streptomyces Coelicolor A3(2) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:40.5 occ:1.00 FE B:HEM501 0.0 40.5 1.0 ND B:HEM501 2.0 37.0 1.0 NB B:HEM501 2.0 38.2 1.0 NC B:HEM501 2.0 36.3 1.0 NA B:HEM501 2.0 37.5 1.0 SG B:CYS360 2.6 48.7 1.0 C4D B:HEM501 3.0 38.1 1.0 C1B B:HEM501 3.0 40.3 1.0 C1C B:HEM501 3.0 36.0 1.0 C1A B:HEM501 3.0 38.8 1.0 C1D B:HEM501 3.1 36.2 1.0 C4B B:HEM501 3.1 39.1 1.0 C4A B:HEM501 3.1 38.6 1.0 C4C B:HEM501 3.1 35.4 1.0 CHA B:HEM501 3.4 38.2 1.0 CHB B:HEM501 3.4 39.9 1.0 CHD B:HEM501 3.4 35.4 1.0 O B:HOH612 3.4 44.7 1.0 CHC B:HEM501 3.4 37.7 1.0 CB B:CYS360 3.5 47.2 1.0 CA B:CYS360 4.2 47.3 1.0 C3B B:HEM501 4.3 42.0 1.0 C2B B:HEM501 4.3 41.4 1.0 C3D B:HEM501 4.3 37.1 1.0 C3A B:HEM501 4.3 37.9 1.0 C2D B:HEM501 4.3 34.7 1.0 C2A B:HEM501 4.3 39.3 1.0 C2C B:HEM501 4.3 33.9 1.0 C3C B:HEM501 4.3 35.0 1.0 O B:ALA249 4.5 59.1 1.0 N B:VAL361 4.8 47.0 1.0 N B:GLY362 5.0 47.3 1.0 CB B:ALA249 5.0 58.4 1.0

Iron binding site 3 out of 4 in the Crystal Structure of CYP105N1 From Streptomyces Coelicolor A3(2)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of CYP105N1 From Streptomyces Coelicolor A3(2) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe501 b:50.3 occ:1.00 FE C:HEM501 0.0 50.3 1.0 ND C:HEM501 2.0 50.5 1.0 NB C:HEM501 2.0 50.3 1.0 NC C:HEM501 2.0 49.2 1.0 NA C:HEM501 2.0 49.3 1.0 SG C:CYS360 2.5 47.9 1.0 C1B C:HEM501 3.0 51.9 1.0 C4D C:HEM501 3.0 50.8 1.0 C1C C:HEM501 3.0 50.0 1.0 C4B C:HEM501 3.1 51.4 1.0 C1A C:HEM501 3.1 49.8 1.0 C4A C:HEM501 3.1 48.8 1.0 C1D C:HEM501 3.1 50.3 1.0 C4C C:HEM501 3.1 49.0 1.0 CHB C:HEM501 3.4 50.6 1.0 CHA C:HEM501 3.4 50.3 1.0 CB C:CYS360 3.4 50.7 1.0 CHC C:HEM501 3.4 50.4 1.0 CHD C:HEM501 3.4 49.0 1.0 CA C:CYS360 4.1 52.5 1.0 C3B C:HEM501 4.3 52.5 1.0 C2B C:HEM501 4.3 52.8 1.0 C3A C:HEM501 4.3 48.9 1.0 C3D C:HEM501 4.3 50.8 1.0 C2A C:HEM501 4.3 50.4 1.0 C2D C:HEM501 4.3 50.0 1.0 C2C C:HEM501 4.3 49.2 1.0 C3C C:HEM501 4.3 48.9 1.0 O C:ALA249 4.7 78.5 1.0 N C:VAL361 4.9 53.4 1.0 C C:CYS360 5.0 52.8 1.0

Iron binding site 4 out of 4 in the Crystal Structure of CYP105N1 From Streptomyces Coelicolor A3(2)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of CYP105N1 From Streptomyces Coelicolor A3(2) within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe501 b:50.8 occ:1.00 FE D:HEM501 0.0 50.8 1.0 ND D:HEM501 2.0 51.2 1.0 NB D:HEM501 2.0 49.9 1.0 NC D:HEM501 2.0 49.6 1.0 NA D:HEM501 2.1 50.2 1.0 SG D:CYS360 2.5 55.4 1.0 C1B D:HEM501 3.0 51.6 1.0 C1C D:HEM501 3.0 50.0 1.0 C4D D:HEM501 3.0 51.4 1.0 C4B D:HEM501 3.0 50.2 1.0 C1D D:HEM501 3.1 50.6 1.0 C4C D:HEM501 3.1 49.2 1.0 C1A D:HEM501 3.1 50.2 1.0 C4A D:HEM501 3.1 50.6 1.0 CHB D:HEM501 3.4 51.0 1.0 CHC D:HEM501 3.4 49.5 1.0 CHA D:HEM501 3.4 50.9 1.0 CHD D:HEM501 3.4 49.1 1.0 CB D:CYS360 3.4 56.3 1.0 CA D:CYS360 4.1 56.6 1.0 C3B D:HEM501 4.3 51.2 1.0 C2B D:HEM501 4.3 52.0 1.0 C2C D:HEM501 4.3 49.4 1.0 C3D D:HEM501 4.3 51.9 1.0 C2D D:HEM501 4.3 51.1 1.0 C3C D:HEM501 4.3 49.7 1.0 C3A D:HEM501 4.3 50.3 1.0 C2A D:HEM501 4.3 50.3 1.0 O D:ALA249 4.7 73.1 1.0 N D:VAL361 4.9 55.9 1.0 C D:CYS360 5.0 55.7 1.0

B.Zhao, M.R.Waterman. Crystal Structure of CYP105N1 From Streptomyces Coelicolor A3(2) To Be Published.