Iron in PDB 8hi8: Crystal Structure of A Holoenzyme Tglhi with Three Fe Ions For Pseudomonas Syringae Peptidyl (S) 2-Mercaptoglycine Biosynthesis

The structure of Crystal Structure of A Holoenzyme Tglhi with Three Fe Ions For Pseudomonas Syringae Peptidyl (S) 2-Mercaptoglycine Biosynthesis, PDB code: 8hi8 was solved by W.Cheng, Y.H.Zheng, X.L.Fu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.74 / 3.49
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	118.943, 118.943, 87.46, 90, 90, 120
R / Rfree (%)	20.4 / 26

The binding sites of Iron atom in the Crystal Structure of A Holoenzyme Tglhi with Three Fe Ions For Pseudomonas Syringae Peptidyl (S) 2-Mercaptoglycine Biosynthesis (pdb code 8hi8). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Crystal Structure of A Holoenzyme Tglhi with Three Fe Ions For Pseudomonas Syringae Peptidyl (S) 2-Mercaptoglycine Biosynthesis, PDB code: 8hi8:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Crystal Structure of A Holoenzyme Tglhi with Three Fe Ions For Pseudomonas Syringae Peptidyl (S) 2-Mercaptoglycine Biosynthesis


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 A Holoenzyme Tglhi with Three Fe Ions For Pseudomonas Syringae Peptidyl (S) 2-Mercaptoglycine Biosynthesis within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:92.8 occ:1.00 NE2 B:HIS107 2.1 90.5 1.0 CE1 B:HIS107 2.5 96.2 1.0 OE1 B:GLU151 2.6 94.5 1.0 CE1 B:HIS71 2.8 92.7 1.0 O B:HOH519 2.8 84.1 1.0 OE2 B:GLU258 2.9 113.9 1.0 NE2 B:HIS71 2.9 84.2 1.0 O B:HOH503 2.9 91.4 1.0 OE2 B:GLU151 3.1 105.2 1.0 CD B:GLU151 3.2 97.1 1.0 CD2 B:HIS107 3.4 84.1 1.0 FE B:FE402 3.6 114.4 1.0 OD1 B:ASN73 3.6 114.0 1.0 ND1 B:HIS71 3.7 97.7 1.0 ND1 B:HIS107 3.7 101.0 1.0 CD2 B:HIS71 3.9 90.3 1.0 CD B:GLU258 4.1 116.9 1.0 CG B:HIS107 4.2 84.7 1.0 CE1 B:HIS216 4.3 104.2 1.0 CG B:HIS71 4.3 94.4 1.0 ND1 B:HIS216 4.5 102.2 1.0 CG B:ASN73 4.7 106.7 1.0 CG B:GLU151 4.7 88.5 1.0 OE1 B:GLU258 4.8 117.6 1.0 NE2 B:GLN15 4.8 120.7 1.0

Iron binding site 2 out of 3 in the Crystal Structure of A Holoenzyme Tglhi with Three Fe Ions For Pseudomonas Syringae Peptidyl (S) 2-Mercaptoglycine Biosynthesis


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 A Holoenzyme Tglhi with Three Fe Ions For Pseudomonas Syringae Peptidyl (S) 2-Mercaptoglycine Biosynthesis within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe402 b:114.4 occ:1.00 OE2 B:GLU151 2.1 105.2 1.0 ND1 B:HIS216 2.2 102.2 1.0 OD2 B:ASP184 2.3 111.0 1.0 OE2 B:GLU258 2.3 113.9 1.0 OE1 B:GLU258 2.4 117.6 1.0 CD B:GLU258 2.5 116.9 1.0 CD B:GLU151 3.0 97.1 1.0 O B:HOH503 3.0 91.4 1.0 CE1 B:HIS216 3.1 104.2 1.0 CG B:ASP184 3.2 101.1 1.0 CG B:HIS216 3.3 101.2 1.0 OE1 B:GLU151 3.5 94.5 1.0 FE B:FE401 3.6 92.8 1.0 CB B:HIS216 3.6 98.6 1.0 CG B:GLU258 3.8 120.6 1.0 CB B:ASP184 3.9 94.5 1.0 OD1 B:ASP184 4.1 97.1 1.0 CG B:GLU151 4.1 88.5 1.0 FE B:FE403 4.1 163.9 1.0 NE2 B:HIS216 4.3 101.2 1.0 CD2 B:HIS216 4.4 103.0 1.0 CE1 B:HIS71 4.5 92.7 1.0 NE2 B:HIS182 4.6 88.7 1.0 CE1 B:HIS231 4.6 147.4 1.0 ND2 B:ASN187 4.8 99.5 1.0 CB B:GLU258 4.9 130.6 1.0 CD2 B:HIS182 4.9 86.7 1.0 CE1 B:HIS107 4.9 96.2 1.0 CA B:ASP184 4.9 89.7 1.0

Iron binding site 3 out of 3 in the Crystal Structure of A Holoenzyme Tglhi with Three Fe Ions For Pseudomonas Syringae Peptidyl (S) 2-Mercaptoglycine Biosynthesis


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 A Holoenzyme Tglhi with Three Fe Ions For Pseudomonas Syringae Peptidyl (S) 2-Mercaptoglycine Biosynthesis within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe403 b:163.9 occ:1.00 OD1 B:ASN187 2.1 119.5 1.0 NE2 B:HIS231 2.1 149.7 1.0 OD2 B:ASP184 2.6 111.0 1.0 O B:HOH505 2.6 145.2 1.0 CE1 B:HIS231 2.8 147.4 1.0 CG B:ASN187 3.0 106.5 1.0 OD1 B:ASP229 3.1 143.9 1.0 ND2 B:ASN187 3.2 99.5 1.0 CG B:ASP184 3.3 101.1 1.0 CD2 B:HIS231 3.3 159.9 1.0 OE1 B:GLU258 3.4 117.6 1.0 OD1 B:ASP184 3.5 97.1 1.0 O B:HOH503 3.5 91.4 1.0 OD2 B:ASP229 3.6 154.3 1.0 CG B:ASP229 3.8 153.6 1.0 ND1 B:HIS231 4.0 155.9 1.0 FE B:FE402 4.1 114.4 1.0 CG B:HIS231 4.3 165.1 1.0 CB B:ASN187 4.4 103.2 1.0 N B:ASN187 4.4 104.2 1.0 CD B:GLU258 4.5 116.9 1.0 OE2 B:GLU151 4.5 105.2 1.0 CB B:ASP184 4.6 94.5 1.0 CA B:ASN187 4.8 103.3 1.0 OE2 B:GLU258 4.9 113.9 1.0 CB B:HIS186 4.9 110.4 1.0 ND1 B:HIS186 5.0 115.9 1.0 CB B:ALA218 5.0 132.7 1.0

W.Cheng, Y.H.Zheng, X.L.Fu. Crystal Structure of A Holoenzyme Tglhi with Two Fe Irons For Pseudomonas Syringae Peptidyl (S) 2-Mercaptoglycine Biosynthesis To Be Published.