Iron in PDB 7rty: Crystal Structure of Psfc From Pseudomonas Syringae Pb-5123

The structure of Crystal Structure of Psfc From Pseudomonas Syringae Pb-5123, PDB code: 7rty was solved by C.Ongpipattanakul, S.K.Nair, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.96
Space group	I 41
Cell size a, b, c (Å), α, β, γ (°)	106.831, 106.831, 83.01, 90, 90, 90
R / Rfree (%)	21.6 / 25.7

The binding sites of Iron atom in the Crystal Structure of Psfc From Pseudomonas Syringae Pb-5123 (pdb code 7rty). 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 Psfc From Pseudomonas Syringae Pb-5123, PDB code: 7rty:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Psfc From Pseudomonas Syringae Pb-5123


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 Psfc From Pseudomonas Syringae Pb-5123 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:26.8 occ:1.00 NE2 A:HIS22 1.9 26.9 1.0 NE2 A:HIS24 1.9 29.0 1.0 OE1 A:GLU100 2.0 30.1 1.0 O A:HOH618 2.0 26.9 1.0 OD1 A:ASP200 2.1 32.0 1.0 CE1 A:HIS22 2.7 26.9 1.0 CE1 A:HIS24 2.8 30.7 1.0 CD A:GLU100 2.9 30.2 1.0 CD2 A:HIS24 3.0 30.6 1.0 CD2 A:HIS22 3.0 26.9 1.0 CG A:ASP200 3.1 31.9 1.0 OE2 A:GLU100 3.1 28.8 1.0 OD2 A:ASP200 3.6 34.6 1.0 ND1 A:HIS22 3.9 26.2 1.0 ND1 A:HIS24 3.9 32.5 1.0 O A:HOH660 4.0 32.5 1.0 CE1 A:HIS59 4.0 31.5 1.0 CG A:HIS22 4.1 26.1 1.0 CG A:HIS24 4.1 32.1 1.0 CB A:ASP200 4.3 30.7 1.0 CG A:GLU100 4.3 28.8 1.0 CE1 A:HIS202 4.4 35.3 1.0 NE2 A:HIS59 4.5 32.2 1.0 NE2 A:HIS150 4.6 32.3 1.0 CB A:GLU100 4.6 27.8 1.0 CA A:ASP200 4.6 28.3 1.0 ND1 A:HIS59 4.7 30.5 1.0 ND1 A:HIS149 4.7 24.4 1.0 O A:THR57 4.7 26.5 1.0 OG1 A:THR57 4.9 33.3 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Psfc From Pseudomonas Syringae Pb-5123


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 Psfc From Pseudomonas Syringae Pb-5123 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:36.7 occ:1.00 O A:HOH606 1.6 34.3 1.0 NE2 A:HIS59 1.9 32.2 1.0 NE2 A:HIS202 1.9 36.9 1.0 O A:HOH660 2.2 32.5 1.0 O A:HOH657 2.3 33.0 1.0 CE1 A:HIS202 2.8 35.3 1.0 CE1 A:HIS59 2.9 31.5 1.0 CD2 A:HIS59 2.9 32.4 1.0 CD2 A:HIS202 3.1 35.1 1.0 ND1 A:HIS202 4.0 34.1 1.0 ND1 A:HIS59 4.0 30.5 1.0 O A:HOH620 4.0 32.0 1.0 CG A:HIS59 4.0 31.3 1.0 O A:HOH618 4.1 26.9 1.0 CG A:HIS202 4.1 35.2 1.0 CE1 A:HIS24 4.3 30.7 1.0 ND1 A:HIS24 4.3 32.5 1.0 NE2 A:HIS24 4.5 29.0 1.0 NZ A:LYS29 4.6 38.9 1.0 CD A:LYS29 4.6 47.7 1.0 CG A:HIS24 4.7 32.1 1.0 CD2 A:HIS24 4.8 30.6 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Psfc From Pseudomonas Syringae Pb-5123


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 Psfc From Pseudomonas Syringae Pb-5123 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe500 b:33.1 occ:1.00 O B:HOH620 1.7 45.5 1.0 NE2 B:HIS22 1.9 28.9 1.0 NE2 B:HIS24 1.9 37.4 1.0 OE1 B:GLU100 2.0 36.5 1.0 OD1 B:ASP200 2.1 31.5 1.0 CE1 B:HIS22 2.8 29.2 1.0 CE1 B:HIS24 2.8 37.6 1.0 CD B:GLU100 2.9 36.9 1.0 CD2 B:HIS24 3.0 37.3 1.0 CD2 B:HIS22 3.0 28.0 1.0 CG B:ASP200 3.0 31.8 1.0 OE2 B:GLU100 3.2 37.9 1.0 OD2 B:ASP200 3.5 35.6 1.0 ND1 B:HIS22 3.9 29.7 1.0 ND1 B:HIS24 3.9 36.8 1.0 CG B:HIS22 4.0 29.2 1.0 CG B:HIS24 4.1 38.4 1.0 CE1 B:HIS59 4.1 44.8 1.0 CB B:ASP200 4.2 30.0 1.0 CG B:GLU100 4.3 36.2 1.0 O B:HOH640 4.3 42.7 1.0 CE1 B:HIS202 4.3 43.8 1.0 O B:THR57 4.6 40.3 1.0 CB B:GLU100 4.6 34.8 1.0 CA B:ASP200 4.6 28.9 1.0 NE2 B:HIS59 4.6 46.1 1.0 ND1 B:HIS59 4.7 44.1 1.0 CE1 B:HIS150 4.8 33.0 1.0 ND1 B:HIS149 4.9 31.7 1.0 OG1 B:THR57 5.0 38.5 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Psfc From Pseudomonas Syringae Pb-5123


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 Psfc From Pseudomonas Syringae Pb-5123 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:48.3 occ:1.00 NE2 B:HIS59 1.9 46.1 1.0 NE2 B:HIS202 1.9 46.0 1.0 O B:HOH631 2.1 48.9 1.0 O B:HOH640 2.2 42.7 1.0 CE1 B:HIS202 2.8 43.8 1.0 CE1 B:HIS59 2.8 44.8 1.0 CD2 B:HIS59 3.0 43.8 1.0 CD2 B:HIS202 3.0 43.1 1.0 NZ B:LYS29 3.9 62.9 1.0 ND1 B:HIS202 3.9 46.0 1.0 ND1 B:HIS59 4.0 44.1 1.0 CG B:HIS59 4.1 44.4 1.0 CG B:HIS202 4.1 43.2 1.0 CE1 B:HIS24 4.2 37.6 1.0 ND1 B:HIS24 4.3 36.8 1.0 O B:HOH620 4.4 45.5 1.0 NE2 B:HIS24 4.6 37.4 1.0 CG B:LYS29 4.6 66.7 1.0 CD B:LYS29 4.6 66.6 1.0 CG B:HIS24 4.7 38.4 1.0 CD2 B:HIS24 4.8 37.3 1.0 CE B:LYS29 4.9 66.1 1.0

M.A.Simon, C.Ongpipattanakul, S.K.Nair, W.A.Van Der Donk. Biosynthesis of Fosfomycin in Pseudomonads Reveals An Unexpected Enzymatic Activity in the Metallohydrolase Superfamily. Proc.Natl.Acad.Sci.Usa V. 118 2021.
ISSN: ESSN 1091-6490
PubMed: 34074759
DOI: 10.1073/PNAS.2019863118