Iron in PDB 4di0: The Structure of Rubrerythrin From Burkholderia Pseudomallei

The structure of The Structure of Rubrerythrin From Burkholderia Pseudomallei, PDB code: 4di0 was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.68 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.580, 56.470, 99.070, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 20

The binding sites of Iron atom in the The Structure of Rubrerythrin From Burkholderia Pseudomallei (pdb code 4di0). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the The Structure of Rubrerythrin From Burkholderia Pseudomallei, PDB code: 4di0:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the The Structure of Rubrerythrin From Burkholderia Pseudomallei


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Structure of Rubrerythrin From Burkholderia Pseudomallei within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:16.5 occ:0.50 OE2 B:GLU124 2.0 21.9 1.0 OE2 A:GLU53 2.2 21.0 1.0 OE2 A:GLU20 2.2 17.6 1.0 ND1 A:HIS56 2.2 14.9 1.0 OE1 A:GLU20 2.2 15.4 1.0 O A:HOH390 2.4 29.0 1.0 CD A:GLU20 2.5 15.6 1.0 CD A:GLU53 2.9 21.0 1.0 CE1 A:HIS56 3.0 15.7 1.0 CD B:GLU124 3.0 19.8 1.0 OE1 A:GLU53 3.1 26.4 1.0 CG A:HIS56 3.3 14.6 1.0 OE1 B:GLU124 3.3 22.1 1.0 CB A:HIS56 3.8 13.6 1.0 FE B:FE202 4.0 27.6 0.5 CG A:GLU20 4.0 14.8 1.0 NE2 A:HIS56 4.2 15.9 1.0 CG A:GLU53 4.2 18.2 1.0 CA A:GLU53 4.2 15.7 1.0 CG B:GLU124 4.2 17.2 1.0 OE1 B:GLU93 4.3 21.8 1.0 O A:HOH391 4.3 37.2 1.0 CD2 A:HIS56 4.4 15.3 1.0 CB A:GLU53 4.4 16.7 1.0 OH B:TYR98 4.7 17.7 1.0 CE2 B:TYR98 4.7 16.5 1.0 CE1 B:HIS127 4.8 18.5 1.0 CB A:GLU20 4.8 13.8 1.0 N A:GLU53 4.9 15.6 1.0 ND1 B:HIS127 5.0 17.9 1.0

Iron binding site 2 out of 3 in the The Structure of Rubrerythrin From Burkholderia Pseudomallei


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Structure of Rubrerythrin From Burkholderia Pseudomallei within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:26.3 occ:0.50 ND1 B:HIS56 2.1 19.6 1.0 OE2 A:GLU124 2.1 23.4 1.0 OE2 B:GLU53 2.1 25.5 1.0 OE1 B:GLU20 2.1 20.8 1.0 OE2 B:GLU20 2.2 23.2 1.0 CD B:GLU20 2.5 19.4 1.0 CD B:GLU53 2.8 23.8 1.0 CE1 B:HIS56 2.9 20.8 1.0 OE1 B:GLU53 3.0 30.1 1.0 CD A:GLU124 3.1 21.1 1.0 CG B:HIS56 3.2 18.7 1.0 O A:HOH344 3.3 42.4 1.0 OE1 A:GLU124 3.5 22.4 1.0 CB B:HIS56 3.7 17.2 1.0 CG B:GLU20 4.0 18.1 1.0 CG B:GLU53 4.1 21.1 1.0 NE2 B:HIS56 4.1 21.1 1.0 CA B:GLU53 4.2 17.8 1.0 CD2 B:HIS56 4.3 20.8 1.0 CB B:GLU53 4.3 19.1 1.0 CG A:GLU124 4.4 19.2 1.0 OE1 A:GLU93 4.5 26.7 1.0 OH A:TYR98 4.5 18.6 1.0 O B:HOH334 4.6 34.2 1.0 CE1 A:HIS127 4.6 21.1 1.0 N B:GLU53 4.8 18.4 1.0 CB B:GLU20 4.8 16.1 1.0 ND1 A:HIS127 4.9 20.2 1.0 CE2 A:TYR98 4.9 17.4 1.0 CD2 A:LEU120 4.9 19.6 1.0 O B:GLY52 5.0 18.9 1.0

Iron binding site 3 out of 3 in the The Structure of Rubrerythrin From Burkholderia Pseudomallei


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The Structure of Rubrerythrin From Burkholderia Pseudomallei within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe202 b:27.6 occ:0.50 OE1 B:GLU124 1.8 22.1 1.0 ND1 B:HIS127 1.9 17.9 1.0 OE2 B:GLU90 2.1 21.7 1.0 OE1 B:GLU90 2.6 24.0 1.0 CD B:GLU90 2.7 21.0 1.0 CE1 B:HIS127 2.8 18.5 1.0 CG B:HIS127 3.0 17.3 1.0 OE1 A:GLU53 3.0 26.4 1.0 CD B:GLU124 3.0 19.8 1.0 OE2 A:GLU53 3.1 21.0 1.0 CD A:GLU53 3.2 21.0 1.0 CB B:HIS127 3.4 16.8 1.0 OE2 B:GLU124 3.6 21.9 1.0 O A:HOH390 3.8 29.0 1.0 NE2 B:HIS127 4.0 19.3 1.0 FE A:FE201 4.0 16.5 0.5 CG2 A:THR49 4.0 17.5 1.0 CD2 B:HIS127 4.0 18.5 1.0 CG B:GLU90 4.2 20.3 1.0 CG B:GLU124 4.3 17.2 1.0 CE2 A:TYR27 4.3 15.3 1.0 CG A:GLU53 4.3 18.2 1.0 CA B:GLU124 4.3 15.6 1.0 OH A:TYR27 4.4 17.5 1.0 CB B:GLU124 4.5 16.4 1.0 OE1 B:GLU93 4.8 21.8 1.0 CZ A:TYR27 4.9 15.8 1.0 CA B:HIS127 5.0 16.9 1.0 CE1 A:HIS56 5.0 15.7 1.0 O B:ALA123 5.0 15.8 1.0

Seattle Structural Genomics Center For Infectious Disease(Ssgcid), Seattle Structural Genomics Center For Infectious Disease (Ssgcid). N/A N/A.