Iron in PDB 9ono: Fe-Bound B. Pseudomallei Rubrerythrin

The structure of Fe-Bound B. Pseudomallei Rubrerythrin, PDB code: 9ono was solved by G.R.Budziszewski, M.E.Snell, D.C.F.Monteiro, M.L.Lynch, S.E.J.Bowman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.32 / 1.66
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	202.794, 202.794, 68.838, 90, 90, 120
R / Rfree (%)	17.2 / 20.6

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Iron atom in the Fe-Bound B. Pseudomallei Rubrerythrin (pdb code 9ono). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 12 binding sites of Iron where determined in the Fe-Bound B. Pseudomallei Rubrerythrin, PDB code: 9ono:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 12 in the Fe-Bound B. Pseudomallei Rubrerythrin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Fe-Bound B. Pseudomallei Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:23.4 occ:0.53 OE2 B:GLU124 1.8 27.4 1.0 OE1 A:GLU53 2.0 25.1 1.0 OE1 A:GLU20 2.0 28.2 1.0 ND1 A:HIS56 2.2 21.4 1.0 OE2 A:GLU20 2.4 35.4 1.0 CD A:GLU20 2.5 23.0 1.0 O B:HOH323 2.5 30.3 1.0 CD B:GLU124 2.9 24.1 1.0 CD A:GLU53 3.0 23.7 1.0 CE1 A:HIS56 3.1 20.2 1.0 HE1 A:HIS56 3.2 24.3 1.0 HA A:GLU53 3.2 19.9 1.0 CG A:HIS56 3.2 19.4 1.0 HB2 A:HIS56 3.3 23.2 1.0 OE1 B:GLU124 3.3 24.8 1.0 OE2 A:GLU53 3.5 20.0 1.0 CB A:HIS56 3.6 19.3 1.0 HB3 A:HIS56 3.6 23.2 1.0 FE B:FE201 3.8 26.0 0.5 CG A:GLU20 4.0 19.6 1.0 HB3 A:GLU53 4.1 21.8 1.0 HE2 B:TYR98 4.1 28.5 1.0 CA A:GLU53 4.1 16.6 1.0 HE1 B:HIS127 4.1 28.4 1.0 CG B:GLU124 4.2 19.7 1.0 CG A:GLU53 4.2 17.4 1.0 HH B:TYR98 4.2 30.2 1.0 O A:HOH310 4.2 37.6 1.0 OE1 B:GLU93 4.2 31.8 1.0 NE2 A:HIS56 4.2 20.3 1.0 CB A:GLU53 4.3 18.1 1.0 HG3 A:GLU20 4.3 23.5 1.0 HG2 B:GLU124 4.3 23.6 1.0 CD2 A:HIS56 4.3 19.2 1.0 HD13 B:LEU120 4.3 28.5 1.0 HG3 B:GLU124 4.4 23.6 1.0 HA A:GLU20 4.5 24.5 1.0 HB3 A:GLU20 4.5 26.9 1.0 HG2 A:GLU20 4.5 23.5 1.0 HG3 A:GLU53 4.7 20.8 1.0 OH B:TYR98 4.7 25.2 1.0 CE1 B:HIS127 4.8 23.7 1.0 N A:GLU53 4.8 19.6 1.0 CB A:GLU20 4.8 22.4 1.0 O A:GLY52 4.8 19.7 1.0 ND1 B:HIS127 4.8 20.6 1.0 HG2 A:GLU53 4.8 20.8 1.0 CE2 B:TYR98 4.9 23.7 1.0 HB3 B:LEU120 5.0 30.1 1.0

Iron binding site 2 out of 12 in the Fe-Bound B. Pseudomallei Rubrerythrin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Fe-Bound B. Pseudomallei Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:25.9 occ:0.38 OE1 A:GLU124 1.9 21.4 1.0 OE2 A:GLU90 1.9 24.0 1.0 OE2 B:GLU53 2.0 23.6 1.0 ND1 A:HIS127 2.2 19.7 1.0 CD A:GLU90 2.7 23.9 1.0 OE1 A:GLU90 2.8 26.2 1.0 O A:HOH317 2.8 23.4 0.5 CD B:GLU53 2.9 23.1 1.0 CD A:GLU124 3.0 29.1 1.0 CE1 A:HIS127 3.2 22.9 1.0 OE1 B:GLU53 3.2 26.5 1.0 CG A:HIS127 3.2 16.0 1.0 HE1 A:HIS127 3.3 27.6 1.0 HB2 A:HIS127 3.3 22.5 1.0 HE2 B:TYR27 3.4 26.5 1.0 HB3 A:HIS127 3.5 22.5 1.0 HH B:TYR27 3.5 29.7 1.0 HA A:GLU124 3.5 21.4 1.0 O A:HOH317 3.5 17.3 0.5 OE2 A:GLU124 3.5 28.5 1.0 CB A:HIS127 3.6 18.7 1.0 FE B:FE202 3.8 25.2 0.5 HG22 B:THR49 3.9 24.0 1.0 CG A:GLU90 4.1 21.0 1.0 HG23 B:THR49 4.1 24.0 1.0 HG21 B:THR49 4.2 24.0 1.0 HB3 A:GLU124 4.2 20.6 1.0 CE2 B:TYR27 4.3 22.1 1.0 CG B:GLU53 4.3 15.8 1.0 OH B:TYR27 4.3 24.7 1.0 NE2 A:HIS127 4.3 22.6 1.0 CG2 B:THR49 4.3 20.0 1.0 CG A:GLU124 4.3 20.3 1.0 CD2 A:HIS127 4.4 20.7 1.0 HG3 A:GLU90 4.4 25.2 1.0 CA A:GLU124 4.4 17.8 1.0 HG3 B:GLU53 4.5 19.0 1.0 HG2 B:GLU53 4.5 19.0 1.0 HG2 A:GLU90 4.5 25.2 1.0 CB A:GLU124 4.5 17.2 1.0 HE1 B:HIS56 4.6 23.4 1.0 OE2 A:GLU93 4.7 32.4 1.0 OE1 A:GLU93 4.7 27.0 1.0 HE2 A:TYR131 4.8 25.3 1.0 HG3 A:GLU124 4.8 24.3 1.0 CZ B:TYR27 4.8 20.2 1.0 HG2 A:GLU124 4.9 24.3 1.0

Iron binding site 3 out of 12 in the Fe-Bound B. Pseudomallei Rubrerythrin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Fe-Bound B. Pseudomallei Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:26.0 occ:0.48 OE1 B:GLU124 1.8 24.8 1.0 OE2 A:GLU53 1.9 20.0 1.0 OE2 B:GLU90 2.1 24.8 1.0 ND1 B:HIS127 2.2 20.6 1.0 O A:HOH310 2.6 37.6 1.0 CD B:GLU90 2.7 25.4 1.0 OE1 B:GLU90 2.7 30.4 1.0 CD A:GLU53 2.9 23.7 1.0 CD B:GLU124 3.0 24.1 1.0 CE1 B:HIS127 3.1 23.7 1.0 OE1 A:GLU53 3.1 25.1 1.0 HE1 B:HIS127 3.2 28.4 1.0 CG B:HIS127 3.2 20.1 1.0 HB2 B:HIS127 3.3 24.7 1.0 HA B:GLU124 3.4 24.3 1.0 OE2 B:GLU124 3.5 27.4 1.0 O B:HOH323 3.5 30.3 1.0 HB3 B:HIS127 3.5 24.7 1.0 HE2 A:TYR27 3.6 21.7 1.0 CB B:HIS127 3.6 20.6 1.0 HH A:TYR27 3.7 30.1 1.0 FE A:FE201 3.8 23.4 0.5 HG22 A:THR49 3.8 23.1 1.0 HG23 A:THR49 4.0 23.1 1.0 HB3 B:GLU124 4.1 25.4 1.0 CG B:GLU90 4.2 23.6 1.0 HG21 A:THR49 4.2 23.1 1.0 CG2 A:THR49 4.2 19.3 1.0 CG B:GLU124 4.2 19.7 1.0 CG A:GLU53 4.2 17.4 1.0 NE2 B:HIS127 4.2 20.9 1.0 CA B:GLU124 4.3 20.3 1.0 CD2 B:HIS127 4.3 19.4 1.0 CB B:GLU124 4.4 21.2 1.0 HE1 A:HIS56 4.4 24.3 1.0 OH A:TYR27 4.4 25.1 1.0 CE2 A:TYR27 4.4 18.0 1.0 HG3 A:GLU53 4.4 20.8 1.0 HG2 A:GLU53 4.5 20.8 1.0 HG3 B:GLU90 4.5 28.3 1.0 OE1 B:GLU93 4.5 31.8 1.0 HG2 B:GLU90 4.6 28.3 1.0 HG3 B:GLU124 4.7 23.6 1.0 HG2 B:GLU124 4.8 23.6 1.0 HE2 B:TYR131 4.9 22.8 1.0 HB3 B:GLU90 4.9 26.6 1.0 CZ A:TYR27 5.0 24.4 1.0

Iron binding site 4 out of 12 in the Fe-Bound B. Pseudomallei Rubrerythrin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Fe-Bound B. Pseudomallei Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe202 b:25.2 occ:0.49 OE2 A:GLU124 1.9 28.5 1.0 OE1 B:GLU53 2.0 26.5 1.0 OE1 B:GLU20 2.0 24.7 1.0 ND1 B:HIS56 2.1 17.1 1.0 CD B:GLU20 2.7 25.1 1.0 O A:HOH317 2.7 17.3 0.5 OE2 B:GLU20 2.8 37.2 1.0 CD A:GLU124 3.0 29.1 1.0 CE1 B:HIS56 3.0 19.5 1.0 CD B:GLU53 3.0 23.1 1.0 HE1 B:HIS56 3.1 23.4 1.0 HA B:GLU53 3.2 19.5 1.0 CG B:HIS56 3.2 19.0 1.0 HB2 B:HIS56 3.3 17.2 1.0 OE1 A:GLU124 3.3 21.4 1.0 OE2 B:GLU53 3.5 23.6 1.0 CB B:HIS56 3.6 14.3 1.0 HB3 B:HIS56 3.7 17.2 1.0 FE A:FE202 3.8 25.9 0.4 HE1 A:HIS127 4.0 27.6 1.0 O A:HOH317 4.0 23.4 0.5 CA B:GLU53 4.1 16.2 1.0 CG B:GLU20 4.1 20.3 1.0 HB3 B:GLU53 4.1 21.1 1.0 NE2 B:HIS56 4.2 21.5 1.0 CG B:GLU53 4.2 15.8 1.0 HE2 A:TYR98 4.3 28.9 1.0 CG A:GLU124 4.3 20.3 1.0 CD2 B:HIS56 4.3 22.4 1.0 HH A:TYR98 4.3 29.0 1.0 HG3 B:GLU20 4.3 24.4 1.0 HD13 A:LEU120 4.3 30.6 1.0 CB B:GLU53 4.3 17.6 1.0 OE1 A:GLU93 4.4 27.0 1.0 HG2 A:GLU124 4.4 24.3 1.0 HB3 B:GLU20 4.5 25.8 1.0 HG3 A:GLU124 4.5 24.3 1.0 HA B:GLU20 4.6 23.0 1.0 CE1 A:HIS127 4.6 22.9 1.0 N B:GLU53 4.7 18.6 1.0 O B:GLY52 4.7 19.3 1.0 HG2 B:GLU20 4.7 24.4 1.0 HG3 B:GLU53 4.8 19.0 1.0 ND1 A:HIS127 4.8 19.7 1.0 HG2 B:GLU53 4.8 19.0 1.0 CB B:GLU20 4.8 21.5 1.0 OH A:TYR98 4.9 24.2 1.0 HE2 B:HIS56 4.9 25.9 1.0 C B:GLY52 4.9 20.1 1.0 HB3 A:LEU120 5.0 25.0 1.0

Iron binding site 5 out of 12 in the Fe-Bound B. Pseudomallei Rubrerythrin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Fe-Bound B. Pseudomallei Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:23.7 occ:0.56 OE2 D:GLU124 1.9 35.6 1.0 OE1 C:GLU53 2.1 27.8 1.0 ND1 C:HIS56 2.1 21.9 1.0 OE1 C:GLU20 2.1 27.9 1.0 OE2 C:GLU20 2.4 34.2 1.0 CD C:GLU20 2.6 25.7 1.0 O D:HOH306 2.7 38.5 1.0 CD D:GLU124 2.9 23.6 1.0 CE1 C:HIS56 3.0 20.8 1.0 CD C:GLU53 3.0 22.7 1.0 HE1 C:HIS56 3.1 24.9 1.0 CG C:HIS56 3.2 20.4 1.0 HA C:GLU53 3.2 25.8 1.0 OE1 D:GLU124 3.3 25.7 1.0 HB2 C:HIS56 3.3 24.1 1.0 OE2 C:GLU53 3.6 22.1 1.0 CB C:HIS56 3.6 20.1 1.0 HB3 C:HIS56 3.6 24.1 1.0 FE D:FE201 3.8 23.3 0.4 HB3 C:GLU53 4.0 26.9 1.0 CA C:GLU53 4.1 21.5 1.0 CG C:GLU20 4.1 24.5 1.0 OE1 D:GLU93 4.1 32.3 1.0 NE2 C:HIS56 4.1 20.6 1.0 HE2 D:TYR98 4.2 26.1 1.0 HE1 D:HIS127 4.2 28.2 1.0 CG D:GLU124 4.2 22.2 1.0 CG C:GLU53 4.2 21.3 1.0 CD2 C:HIS56 4.3 23.4 1.0 CB C:GLU53 4.3 22.4 1.0 HG2 D:GLU124 4.4 26.6 1.0 HG3 D:GLU124 4.4 26.6 1.0 HG3 C:GLU20 4.4 29.4 1.0 HG D:LEU120 4.5 27.9 0.8 O C:HOH333 4.5 38.8 1.0 HH D:TYR98 4.5 35.5 1.0 HA C:GLU20 4.5 27.1 1.0 HG2 C:GLU20 4.6 29.4 1.0 HD13 D:LEU120 4.6 30.5 0.2 HB3 C:GLU20 4.6 23.6 1.0 HD23 D:LEU120 4.7 30.4 0.8 N C:GLU53 4.7 18.6 1.0 HG3 C:GLU53 4.8 25.5 1.0 O D:HOH335 4.8 42.5 1.0 OH D:TYR98 4.8 29.6 1.0 HG2 C:GLU53 4.8 25.5 1.0 CE1 D:HIS127 4.8 23.5 1.0 CB C:GLU20 4.9 19.7 1.0 O C:GLY52 4.9 18.8 1.0 HE2 C:HIS56 4.9 24.7 1.0 ND1 D:HIS127 4.9 22.4 1.0 HB3 D:LEU120 4.9 25.9 0.2 CE2 D:TYR98 4.9 21.8 1.0

Iron binding site 6 out of 12 in the Fe-Bound B. Pseudomallei Rubrerythrin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Fe-Bound B. Pseudomallei Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe202 b:26.8 occ:0.32 OE1 C:GLU124 1.9 23.5 1.0 OE2 D:GLU53 2.0 22.2 1.0 OE2 C:GLU90 2.0 23.0 1.0 ND1 C:HIS127 2.1 19.0 1.0 CD C:GLU90 2.7 29.7 1.0 OE1 C:GLU90 2.8 25.6 1.0 CD D:GLU53 2.9 19.9 1.0 CE1 C:HIS127 3.0 22.1 1.0 CD C:GLU124 3.1 20.5 1.0 OE1 D:GLU53 3.1 20.7 1.0 HE1 C:HIS127 3.1 26.5 1.0 CG C:HIS127 3.1 20.2 1.0 HB2 C:HIS127 3.3 23.6 1.0 O C:HOH335 3.4 34.1 1.0 HB3 C:HIS127 3.4 23.6 1.0 HE2 D:TYR27 3.5 28.4 1.0 HA C:GLU124 3.5 20.5 1.0 CB C:HIS127 3.5 19.7 1.0 HH D:TYR27 3.5 27.5 1.0 OE2 C:GLU124 3.5 30.9 1.0 HG22 D:THR49 3.8 22.4 1.0 FE D:FE202 3.9 27.3 0.5 HG23 D:THR49 4.0 22.4 1.0 HG21 D:THR49 4.1 22.4 1.0 NE2 C:HIS127 4.1 22.0 1.0 CG2 D:THR49 4.2 18.7 1.0 CG C:GLU90 4.2 27.1 1.0 HB3 C:GLU124 4.2 23.5 1.0 CD2 C:HIS127 4.2 18.5 1.0 CG D:GLU53 4.3 18.2 1.0 CG C:GLU124 4.3 18.8 1.0 CE2 D:TYR27 4.3 23.6 1.0 OH D:TYR27 4.4 22.9 1.0 CA C:GLU124 4.4 17.1 1.0 HG3 C:GLU90 4.4 32.5 1.0 HG2 D:GLU53 4.5 21.9 1.0 HG3 D:GLU53 4.5 21.9 1.0 HE1 D:HIS56 4.5 27.6 1.0 CB C:GLU124 4.5 19.6 1.0 HG2 C:GLU90 4.5 32.5 1.0 HE2 C:TYR131 4.8 22.7 1.0 OE1 C:GLU93 4.8 28.7 1.0 HG3 C:GLU124 4.9 22.6 1.0 CZ D:TYR27 4.9 27.4 1.0 HG2 C:GLU124 4.9 22.6 1.0 HE2 C:HIS127 4.9 26.4 1.0 OE2 C:GLU93 4.9 39.5 1.0

Iron binding site 7 out of 12 in the Fe-Bound B. Pseudomallei Rubrerythrin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Fe-Bound B. Pseudomallei Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:23.3 occ:0.41 OE1 D:GLU124 1.9 25.7 1.0 OE2 D:GLU90 2.0 29.5 1.0 OE2 C:GLU53 2.0 22.1 1.0 ND1 D:HIS127 2.3 22.4 1.0 CD D:GLU90 2.6 29.9 1.0 OE1 D:GLU90 2.7 36.2 1.0 CD C:GLU53 2.9 22.7 1.0 O C:HOH333 2.9 38.8 1.0 CD D:GLU124 3.0 23.6 1.0 OE1 C:GLU53 3.1 27.8 1.0 CE1 D:HIS127 3.2 23.5 1.0 HE1 D:HIS127 3.3 28.2 1.0 CG D:HIS127 3.3 20.4 1.0 HB2 D:HIS127 3.4 26.5 1.0 HE2 C:TYR27 3.5 28.3 1.0 HA D:GLU124 3.5 31.0 1.0 OE2 D:GLU124 3.5 35.6 1.0 HB3 D:HIS127 3.5 26.5 1.0 O D:HOH306 3.6 38.5 1.0 HH C:TYR27 3.6 32.1 1.0 CB D:HIS127 3.6 22.1 1.0 FE C:FE201 3.8 23.7 0.6 HG22 C:THR49 3.9 26.2 1.0 CG D:GLU90 4.1 24.2 1.0 HG23 C:THR49 4.2 26.2 1.0 HB3 D:GLU124 4.2 29.1 1.0 HG21 C:THR49 4.3 26.2 1.0 CG C:GLU53 4.3 21.3 1.0 CG D:GLU124 4.3 22.2 1.0 CG2 C:THR49 4.3 21.9 1.0 NE2 D:HIS127 4.3 22.6 1.0 HG3 D:GLU90 4.4 29.1 1.0 CE2 C:TYR27 4.4 23.6 1.0 CA D:GLU124 4.4 25.8 1.0 OH C:TYR27 4.4 26.7 1.0 CD2 D:HIS127 4.4 24.8 1.0 HE1 C:HIS56 4.5 24.9 1.0 HG3 C:GLU53 4.5 25.5 1.0 HG2 C:GLU53 4.5 25.5 1.0 HG2 D:GLU90 4.5 29.1 1.0 CB D:GLU124 4.5 24.3 1.0 OE1 D:GLU93 4.6 32.3 1.0 HG3 D:GLU124 4.8 26.6 1.0 HE2 D:TYR131 4.8 27.9 1.0 CZ C:TYR27 4.9 29.1 1.0 HG2 D:GLU124 4.9 26.6 1.0 HA D:GLU90 5.0 28.2 1.0

Iron binding site 8 out of 12 in the Fe-Bound B. Pseudomallei Rubrerythrin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Fe-Bound B. Pseudomallei Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe202 b:27.3 occ:0.47 OE2 C:GLU124 1.8 30.9 1.0 OE1 D:GLU20 2.0 24.7 1.0 OE1 D:GLU53 2.0 20.7 1.0 ND1 D:HIS56 2.1 18.5 1.0 CD D:GLU20 2.7 23.7 1.0 OE2 D:GLU20 2.9 31.4 1.0 CD C:GLU124 2.9 20.5 1.0 CE1 D:HIS56 3.0 23.0 1.0 O C:HOH335 3.0 34.1 1.0 CD D:GLU53 3.1 19.9 1.0 HE1 D:HIS56 3.1 27.6 1.0 HA D:GLU53 3.2 20.8 1.0 CG D:HIS56 3.2 18.1 1.0 HB2 D:HIS56 3.2 20.8 1.0 OE1 C:GLU124 3.4 23.5 1.0 CB D:HIS56 3.6 17.3 1.0 HB3 D:HIS56 3.6 20.8 1.0 OE2 D:GLU53 3.7 22.2 1.0 FE C:FE202 3.9 26.8 0.3 HE1 C:HIS127 4.0 26.5 1.0 CA D:GLU53 4.1 17.3 1.0 HB3 D:GLU53 4.1 23.8 1.0 CG D:GLU20 4.1 19.1 1.0 HE2 C:TYR98 4.1 23.8 1.0 NE2 D:HIS56 4.2 19.5 1.0 CG C:GLU124 4.2 18.8 1.0 CG D:GLU53 4.3 18.2 1.0 HG3 D:GLU20 4.3 22.9 1.0 CD2 D:HIS56 4.3 17.4 1.0 HG2 C:GLU124 4.3 22.6 1.0 OE1 C:GLU93 4.3 28.7 1.0 CB D:GLU53 4.3 19.9 1.0 HD13 C:LEU120 4.4 22.1 1.0 HG3 C:GLU124 4.5 22.6 1.0 HB3 D:GLU20 4.6 23.5 1.0 HA D:GLU20 4.6 24.6 1.0 O D:HOH326 4.6 45.1 1.0 N D:GLU53 4.7 19.4 1.0 CE1 C:HIS127 4.7 22.1 1.0 HG2 D:GLU20 4.7 22.9 1.0 O D:GLY52 4.7 18.8 1.0 OH C:TYR98 4.8 20.2 1.0 HG3 D:GLU53 4.8 21.9 1.0 HG2 D:GLU53 4.8 21.9 1.0 ND1 C:HIS127 4.8 19.0 1.0 CB D:GLU20 4.8 19.6 1.0 HH C:TYR98 4.8 24.3 1.0 CE2 C:TYR98 4.9 19.8 1.0 HB3 C:LEU120 4.9 23.7 1.0 HE2 D:HIS56 4.9 23.4 1.0 C D:GLY52 5.0 19.9 1.0

Iron binding site 9 out of 12 in the Fe-Bound B. Pseudomallei Rubrerythrin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Fe-Bound B. Pseudomallei Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe201 b:24.1 occ:0.63 OE2 F:GLU124 1.9 29.0 1.0 OE1 E:GLU53 2.0 27.3 1.0 OE1 E:GLU20 2.1 31.2 1.0 ND1 E:HIS56 2.2 18.8 1.0 OE2 E:GLU20 2.2 35.1 1.0 O F:HOH328 2.3 33.2 1.0 CD E:GLU20 2.5 28.9 1.0 CD F:GLU124 3.0 29.3 1.0 CD E:GLU53 3.1 22.0 1.0 CE1 E:HIS56 3.1 21.0 1.0 HE1 E:HIS56 3.2 25.2 1.0 HA E:GLU53 3.2 20.8 1.0 CG E:HIS56 3.3 19.7 1.0 HB2 E:HIS56 3.3 19.7 1.0 OE1 F:GLU124 3.4 22.4 1.0 OE2 E:GLU53 3.6 20.8 1.0 CB E:HIS56 3.6 16.4 1.0 HB3 E:HIS56 3.7 19.7 1.0 FE F:FE201 3.9 22.8 0.4 CG E:GLU20 4.0 24.9 1.0 HB3 E:GLU53 4.0 23.5 1.0 CA E:GLU53 4.1 17.4 1.0 HE1 F:HIS127 4.1 26.3 1.0 HE2 F:TYR98 4.2 28.2 1.0 NE2 E:HIS56 4.2 24.7 1.0 CG E:GLU53 4.2 18.7 1.0 CG F:GLU124 4.3 20.7 1.0 HG3 E:GLU20 4.3 29.9 1.0 CB E:GLU53 4.3 19.6 1.0 OE1 F:GLU93 4.3 28.2 1.0 CD2 E:HIS56 4.3 23.6 1.0 HH F:TYR98 4.4 28.2 1.0 HG2 F:GLU124 4.4 24.9 1.0 O F:HOH397 4.5 33.3 1.0 HG2 E:GLU20 4.5 29.9 1.0 HD13 F:LEU120 4.5 25.6 1.0 HG3 F:GLU124 4.5 24.9 1.0 HB3 E:GLU20 4.5 24.2 1.0 HA E:GLU20 4.5 26.3 1.0 O F:HOH343 4.6 44.7 1.0 N E:GLU53 4.7 19.1 1.0 OH F:TYR98 4.7 23.5 1.0 CE1 F:HIS127 4.8 21.9 1.0 HG3 E:GLU53 4.8 22.4 1.0 CB E:GLU20 4.8 20.2 1.0 ND1 F:HIS127 4.8 19.8 1.0 HG2 E:GLU53 4.9 22.4 1.0 O E:GLY52 4.9 18.2 1.0 CE2 F:TYR98 5.0 23.5 1.0 HE2 E:HIS56 5.0 29.6 1.0

Iron binding site 10 out of 12 in the Fe-Bound B. Pseudomallei Rubrerythrin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Fe-Bound B. Pseudomallei Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe202 b:29.7 occ:0.47 OE2 F:GLU53 1.9 24.5 1.0 OE1 E:GLU124 2.0 29.1 1.0 OE2 E:GLU90 2.0 27.6 1.0 ND1 E:HIS127 2.2 22.0 1.0 CD E:GLU90 2.7 28.1 1.0 OE1 E:GLU90 2.7 34.0 1.0 O F:HOH334 2.9 40.8 1.0 CD F:GLU53 2.9 23.6 1.0 CD E:GLU124 3.1 33.8 1.0 CE1 E:HIS127 3.2 24.6 1.0 OE1 F:GLU53 3.2 27.8 1.0 CG E:HIS127 3.3 22.8 1.0 HE1 E:HIS127 3.3 29.6 1.0 HB2 E:HIS127 3.3 29.7 1.0 O E:HOH315 3.5 35.6 1.0 HB3 E:HIS127 3.5 29.7 1.0 HE2 F:TYR27 3.5 28.5 1.0 HA E:GLU124 3.5 27.2 1.0 OE2 E:GLU124 3.6 32.5 1.0 HH F:TYR27 3.6 33.5 1.0 CB E:HIS127 3.6 24.8 1.0 HG22 F:THR49 3.7 25.1 1.0 FE F:FE202 3.8 25.9 0.6 HG21 F:THR49 4.0 25.1 1.0 HG23 F:THR49 4.1 25.1 1.0 CG E:GLU90 4.1 28.4 1.0 CG2 F:THR49 4.1 20.9 1.0 CG F:GLU53 4.3 19.0 1.0 HB3 E:GLU124 4.3 25.1 1.0 NE2 E:HIS127 4.3 22.8 1.0 CG E:GLU124 4.3 20.7 1.0 CD2 E:HIS127 4.4 21.1 1.0 HG3 E:GLU90 4.4 34.1 1.0 CE2 F:TYR27 4.4 23.7 1.0 OH F:TYR27 4.4 27.9 1.0 CA E:GLU124 4.4 22.7 1.0 HG3 F:GLU53 4.4 22.9 1.0 HG2 F:GLU53 4.5 22.9 1.0 HE1 F:HIS56 4.5 32.0 1.0 HG2 E:GLU90 4.5 34.1 1.0 CB E:GLU124 4.6 20.9 1.0 OE1 E:GLU93 4.6 32.1 1.0 HG3 E:GLU124 4.8 24.9 1.0 HE2 E:TYR131 4.8 29.4 1.0 HB3 E:GLU90 4.9 34.9 1.0 CZ F:TYR27 4.9 32.6 1.0 HG2 E:GLU124 5.0 24.9 1.0

G.R.Budziszewski, M.L.Lynch, M.E.Snell, D.C.Monteiro, S.E.Bowman. Burkholderia Pseudomallei Rubrerythrin Promiscuously Binds Metals in A Structurally Pre-Formed Bimetallic Binding Site. Biorxiv 2025.
ISSN: ISSN 2692-8205
PubMed: 40501712
DOI: 10.1101/2025.06.01.657255