Iron in PDB 9onm: Near-Apo Rubrerythrin

The structure of Near-Apo Rubrerythrin, PDB code: 9onm 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)	33.76 / 1.57
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	203.919, 203.919, 68.785, 90, 90, 120
R / Rfree (%)	14.9 / 17.9

Pages:

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

Binding sites:

The binding sites of Iron atom in the Near-Apo Rubrerythrin (pdb code 9onm). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 12 binding sites of Iron where determined in the Near-Apo Rubrerythrin, PDB code: 9onm:
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 Near-Apo Rubrerythrin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Near-Apo Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:19.1 occ:0.16 OE2 D:GLU124 1.8 23.7 1.0 OE1 A:GLU20 2.0 25.3 1.0 OE1 A:GLU53 2.0 24.9 1.0 ND1 A:HIS56 2.1 15.9 1.0 CD A:GLU20 2.7 24.9 1.0 CD D:GLU124 2.9 19.4 1.0 CE1 A:HIS56 2.9 16.7 1.0 OE2 A:GLU20 2.9 30.1 1.0 HE1 A:HIS56 3.0 20.1 1.0 CD A:GLU53 3.1 21.7 1.0 CG A:HIS56 3.2 15.5 1.0 HA A:GLU53 3.2 17.6 1.0 HB2 A:HIS56 3.3 16.7 1.0 O D:HOH314 3.3 20.5 0.5 OE1 D:GLU124 3.4 21.3 1.0 CB A:HIS56 3.6 13.9 1.0 HB3 A:HIS56 3.6 16.7 1.0 OE2 A:GLU53 3.6 21.5 1.0 FE D:FE203 3.7 19.0 0.1 O D:HOH314 4.0 20.9 0.5 CG A:GLU20 4.1 19.3 1.0 NE2 A:HIS56 4.1 16.8 1.0 CA A:GLU53 4.1 14.7 1.0 HE1 D:HIS127 4.1 23.4 1.0 CG D:GLU124 4.1 15.8 1.0 HD13 D:LEU120 4.1 24.2 0.3 HG2 D:GLU124 4.2 18.9 1.0 HG3 A:GLU20 4.2 23.1 1.0 HB3 A:GLU53 4.2 18.0 1.0 CD2 A:HIS56 4.2 17.4 1.0 HE2 D:TYR98 4.2 23.6 1.0 CG A:GLU53 4.3 14.2 1.0 HG D:LEU120 4.4 23.9 0.7 OE1 D:GLU93 4.4 33.1 1.0 HG3 D:GLU124 4.4 18.9 1.0 CB A:GLU53 4.4 15.0 1.0 HB3 A:GLU20 4.5 17.5 1.0 HA A:GLU20 4.6 18.5 1.0 N A:GLU53 4.7 12.2 1.0 HG2 A:GLU20 4.7 23.1 1.0 CE1 D:HIS127 4.7 19.5 1.0 HH D:TYR98 4.8 24.4 1.0 O A:GLY52 4.8 15.8 1.0 CB A:GLU20 4.8 14.6 1.0 HG2 A:GLU53 4.8 17.0 1.0 HE2 A:HIS56 4.8 20.2 1.0 OH D:TYR98 4.9 20.3 1.0 ND1 D:HIS127 4.9 16.2 1.0 HG3 A:GLU53 4.9 17.0 1.0 HD23 D:LEU120 5.0 24.0 0.7 C A:GLY52 5.0 14.0 1.0

Iron binding site 2 out of 12 in the Near-Apo Rubrerythrin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Near-Apo Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:17.6 occ:0.10 ND1 A:HIS127 1.9 15.8 1.0 OE1 A:GLU124 2.0 17.7 1.0 OE2 D:GLU53 2.1 20.9 1.0 OE2 A:GLU90 2.2 17.6 1.0 CE1 A:HIS127 2.8 17.9 1.0 CD A:GLU90 2.9 22.2 1.0 OE1 A:GLU90 3.0 23.7 1.0 CG A:HIS127 3.0 15.7 1.0 CD D:GLU53 3.0 19.4 1.0 HE1 A:HIS127 3.0 21.5 1.0 CD A:GLU124 3.0 19.3 1.0 HB2 A:HIS127 3.2 14.3 1.0 OE1 D:GLU53 3.2 24.1 1.0 HB3 A:HIS127 3.3 14.3 1.0 CB A:HIS127 3.4 11.9 1.0 OE2 A:GLU124 3.5 25.5 1.0 HA A:GLU124 3.5 19.6 1.0 O A:HOH305 3.5 18.6 0.5 HE2 D:TYR27 3.5 17.2 1.0 HG22 D:THR49 3.8 19.4 1.0 HH D:TYR27 3.8 24.6 1.0 FE D:FE204 3.9 19.0 0.1 HG23 D:THR49 3.9 19.4 1.0 O A:HOH305 3.9 14.8 0.5 NE2 A:HIS127 4.0 16.5 1.0 CD2 A:HIS127 4.1 15.6 1.0 HG21 D:THR49 4.1 19.4 1.0 CG2 D:THR49 4.1 16.1 1.0 CG A:GLU90 4.3 16.5 1.0 CG D:GLU53 4.3 14.9 1.0 CG A:GLU124 4.3 12.6 1.0 HB3 A:GLU124 4.4 17.3 1.0 OH D:TYR27 4.4 20.5 1.0 CA A:GLU124 4.4 16.3 1.0 CE2 D:TYR27 4.4 14.3 1.0 HG2 D:GLU53 4.4 17.9 1.0 HG3 A:GLU90 4.4 19.8 1.0 HE1 D:HIS56 4.4 23.5 1.0 HG3 D:GLU53 4.6 17.9 1.0 CB A:GLU124 4.6 14.4 1.0 HG2 A:GLU90 4.7 19.8 1.0 HE2 A:HIS127 4.7 19.8 1.0 HE2 A:TYR131 4.8 17.8 1.0 HG2 A:GLU124 4.9 15.1 1.0 CA A:HIS127 4.9 12.4 1.0 CZ D:TYR27 4.9 17.1 1.0 HG3 A:GLU124 4.9 15.1 1.0 HD2 A:HIS127 4.9 18.7 1.0

Iron binding site 3 out of 12 in the Near-Apo Rubrerythrin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Near-Apo Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe203 b:20.1 occ:0.10 OE1 B:GLU124 1.9 18.5 1.0 OE2 B:GLU90 1.9 18.4 1.0 ND1 B:HIS127 2.0 17.3 1.0 OE2 C:GLU53 2.1 19.7 1.0 CD B:GLU90 2.7 19.8 1.0 OE1 B:GLU90 2.9 24.8 1.0 CE1 B:HIS127 3.0 16.2 1.0 CD C:GLU53 3.0 22.2 1.0 CD B:GLU124 3.0 20.3 1.0 CG B:HIS127 3.1 11.6 1.0 HE1 B:HIS127 3.1 19.4 1.0 HB2 B:HIS127 3.2 16.8 1.0 OE1 C:GLU53 3.3 21.8 1.0 HB3 B:HIS127 3.3 16.8 1.0 HE2 C:TYR27 3.4 17.3 1.0 CB B:HIS127 3.4 14.0 1.0 O B:HOH337 3.5 19.9 0.5 OE2 B:GLU124 3.5 25.9 1.0 HA B:GLU124 3.5 16.9 1.0 HH C:TYR27 3.6 23.8 1.0 O B:HOH337 3.7 18.7 0.5 HG22 C:THR49 3.7 21.2 1.0 HG23 C:THR49 3.9 21.2 1.0 HG21 C:THR49 4.0 21.2 1.0 FE C:FE205 4.0 19.4 0.1 CG2 C:THR49 4.1 17.7 1.0 CG B:GLU90 4.1 15.9 1.0 NE2 B:HIS127 4.1 15.3 1.0 CD2 B:HIS127 4.2 14.4 1.0 OH C:TYR27 4.2 19.8 1.0 CE2 C:TYR27 4.3 14.4 1.0 HG3 B:GLU90 4.3 19.1 1.0 HB3 B:GLU124 4.3 16.9 1.0 CG C:GLU53 4.3 13.2 1.0 CG B:GLU124 4.3 15.6 1.0 CA B:GLU124 4.4 14.1 1.0 HG2 C:GLU53 4.4 15.8 1.0 HG2 B:GLU90 4.5 19.1 1.0 HG3 C:GLU53 4.5 15.8 1.0 CB B:GLU124 4.6 14.1 1.0 HE1 C:HIS56 4.7 20.9 1.0 HE2 B:TYR131 4.7 22.0 1.0 CZ C:TYR27 4.7 12.9 1.0 HG2 B:GLU124 4.9 18.7 1.0 HE2 B:HIS127 4.9 18.4 1.0 HG3 B:GLU124 4.9 18.7 1.0 CA B:HIS127 4.9 14.2 1.0

Iron binding site 4 out of 12 in the Near-Apo Rubrerythrin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Near-Apo Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe203 b:14.3 occ:0.14 OE2 C:GLU124 1.7 25.6 1.0 OE1 B:GLU20 1.9 23.0 1.0 OE1 B:GLU53 1.9 24.8 1.0 ND1 B:HIS56 2.3 17.0 1.0 CD B:GLU20 2.6 21.9 1.0 OE2 B:GLU20 2.6 30.4 1.0 CD C:GLU124 2.9 22.3 1.0 CD B:GLU53 3.0 19.6 1.0 CE1 B:HIS56 3.1 13.5 1.0 HE1 B:HIS56 3.2 16.2 1.0 O B:HOH303 3.3 23.1 0.5 HA B:GLU53 3.3 11.3 1.0 CG B:HIS56 3.3 13.6 1.0 OE1 C:GLU124 3.4 20.5 1.0 HB2 B:HIS56 3.4 17.5 1.0 OE2 B:GLU53 3.4 21.4 1.0 O B:HOH303 3.5 20.9 0.5 HB3 B:HIS56 3.7 17.5 1.0 CB B:HIS56 3.7 14.6 1.0 FE C:FE204 3.7 21.8 0.1 CG B:GLU20 4.0 15.9 1.0 CG C:GLU124 4.1 17.6 1.0 HE1 C:HIS127 4.1 21.1 1.0 HE2 C:TYR98 4.1 19.9 1.0 HB3 B:GLU53 4.2 15.8 1.0 HD13 C:LEU120 4.2 20.5 0.2 HG2 C:GLU124 4.2 21.2 1.0 CA B:GLU53 4.2 9.4 1.0 CG B:GLU53 4.2 12.0 1.0 HG3 B:GLU20 4.2 19.1 1.0 NE2 B:HIS56 4.3 17.3 1.0 OE1 C:GLU93 4.3 30.8 1.0 HG3 C:GLU124 4.4 21.2 1.0 CB B:GLU53 4.4 13.2 1.0 CD2 B:HIS56 4.4 14.2 1.0 HB3 B:GLU20 4.4 18.6 1.0 HG C:LEU120 4.5 17.6 0.8 HA B:GLU20 4.6 14.6 1.0 HH C:TYR98 4.6 24.4 1.0 HG2 B:GLU20 4.6 19.1 1.0 OH C:TYR98 4.7 20.3 1.0 HG3 B:GLU53 4.7 14.4 1.0 CB B:GLU20 4.7 15.5 1.0 CE1 C:HIS127 4.7 17.6 1.0 HG2 B:GLU53 4.8 14.4 1.0 N B:GLU53 4.8 11.8 1.0 ND1 C:HIS127 4.8 14.4 1.0 CE2 C:TYR98 4.9 16.6 1.0 O B:GLY52 5.0 15.0 1.0

Iron binding site 5 out of 12 in the Near-Apo Rubrerythrin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Near-Apo Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe204 b:21.8 occ:0.13 ND1 C:HIS127 1.9 14.4 1.0 OE2 B:GLU53 1.9 21.4 1.0 OE1 C:GLU124 2.0 20.5 1.0 OE2 C:GLU90 2.1 20.5 1.0 CD B:GLU53 2.8 19.6 1.0 CE1 C:HIS127 2.8 17.6 1.0 CD C:GLU90 2.9 22.3 1.0 HE1 C:HIS127 2.9 21.1 1.0 CD C:GLU124 3.0 22.3 1.0 CG C:HIS127 3.0 12.0 1.0 OE1 B:GLU53 3.1 24.8 1.0 OE1 C:GLU90 3.1 26.3 1.0 HB2 C:HIS127 3.3 16.4 1.0 O B:HOH303 3.3 20.9 0.5 HB3 C:HIS127 3.4 16.4 1.0 OE2 C:GLU124 3.4 25.6 1.0 HE2 B:TYR27 3.5 17.4 1.0 CB C:HIS127 3.5 13.7 1.0 HA C:GLU124 3.6 18.2 1.0 HG22 B:THR49 3.7 17.1 1.0 HG23 B:THR49 3.7 17.1 1.0 HH B:TYR27 3.7 22.0 1.0 FE C:FE203 3.7 14.3 0.1 NE2 C:HIS127 4.0 14.2 1.0 HG21 B:THR49 4.0 17.1 1.0 CG2 B:THR49 4.0 14.3 1.0 CD2 C:HIS127 4.1 15.4 1.0 CG B:GLU53 4.1 12.0 1.0 HG2 B:GLU53 4.2 14.4 1.0 O B:HOH303 4.2 23.1 0.5 CG C:GLU90 4.4 20.4 1.0 CE2 B:TYR27 4.4 14.5 1.0 CG C:GLU124 4.4 17.6 1.0 HG3 B:GLU53 4.4 14.4 1.0 OH B:TYR27 4.4 18.3 1.0 HB3 C:GLU124 4.4 17.1 1.0 HE1 B:HIS56 4.4 16.2 1.0 CA C:GLU124 4.5 15.2 1.0 HG3 C:GLU90 4.5 24.4 1.0 CB C:GLU124 4.6 14.2 1.0 HE2 C:HIS127 4.7 17.0 1.0 HG2 C:GLU90 4.7 24.4 1.0 HG2 C:GLU124 4.9 21.2 1.0 HE2 C:TYR131 4.9 18.6 1.0 CZ B:TYR27 4.9 15.8 1.0 HG3 C:GLU124 5.0 21.2 1.0 HD2 C:HIS127 5.0 18.4 1.0

Iron binding site 6 out of 12 in the Near-Apo Rubrerythrin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Near-Apo Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe205 b:19.4 occ:0.13 OE2 B:GLU124 1.9 25.9 1.0 OE1 C:GLU53 1.9 21.8 1.0 OE1 C:GLU20 2.0 24.6 1.0 ND1 C:HIS56 2.0 14.2 1.0 CD C:GLU20 2.7 24.8 1.0 CE1 C:HIS56 2.9 17.4 1.0 OE2 C:GLU20 3.0 29.9 1.0 CD B:GLU124 3.0 20.3 1.0 HE1 C:HIS56 3.0 20.9 1.0 CD C:GLU53 3.1 22.2 1.0 CG C:HIS56 3.1 14.2 1.0 HA C:GLU53 3.2 16.3 1.0 HB2 C:HIS56 3.2 14.3 1.0 O B:HOH337 3.4 18.7 0.5 OE1 B:GLU124 3.5 18.5 1.0 CB C:HIS56 3.5 11.9 1.0 HB3 C:HIS56 3.6 14.3 1.0 OE2 C:GLU53 3.6 19.7 1.0 HE1 B:HIS127 3.9 19.4 1.0 FE B:FE203 4.0 20.1 0.1 HH B:TYR98 4.0 21.0 1.0 NE2 C:HIS56 4.1 16.1 1.0 O B:HOH337 4.1 19.9 0.5 CG C:GLU20 4.1 14.9 1.0 CA C:GLU53 4.1 13.6 1.0 HG3 C:GLU20 4.2 18.0 1.0 CD2 C:HIS56 4.2 14.6 1.0 HG2 B:GLU124 4.2 18.7 1.0 CG B:GLU124 4.2 15.6 1.0 HB3 C:GLU53 4.3 17.1 1.0 CG C:GLU53 4.3 13.2 1.0 HG B:LEU120 4.3 18.4 1.0 HE2 B:TYR98 4.3 19.9 1.0 CB C:GLU53 4.4 14.3 1.0 HG3 B:GLU124 4.5 18.7 1.0 CE1 B:HIS127 4.5 16.2 1.0 HB3 C:GLU20 4.6 17.6 1.0 OE1 B:GLU93 4.6 26.4 1.0 N C:GLU53 4.6 12.7 1.0 O C:GLY52 4.7 14.2 1.0 HG2 C:GLU20 4.7 18.0 1.0 ND1 B:HIS127 4.7 17.3 1.0 HA C:GLU20 4.8 14.0 1.0 HG2 C:GLU53 4.8 15.8 1.0 HE2 C:HIS56 4.8 19.4 1.0 OH B:TYR98 4.9 17.5 1.0 C C:GLY52 4.9 13.0 1.0 CB C:GLU20 4.9 14.7 1.0 HG3 C:GLU53 4.9 15.8 1.0 H C:HIS56 5.0 15.7 1.0

Iron binding site 7 out of 12 in the Near-Apo Rubrerythrin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Near-Apo Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe203 b:19.0 occ:0.14 OE1 D:GLU124 1.9 21.3 1.0 OE2 A:GLU53 2.0 21.5 1.0 OE2 D:GLU90 2.1 23.2 1.0 ND1 D:HIS127 2.2 16.2 1.0 CD A:GLU53 2.7 21.7 1.0 CD D:GLU90 2.8 23.1 1.0 OE1 A:GLU53 2.9 24.9 1.0 CD D:GLU124 2.9 19.4 1.0 CE1 D:HIS127 3.0 19.5 1.0 OE1 D:GLU90 3.0 29.7 1.0 HE1 D:HIS127 3.0 23.4 1.0 O D:HOH314 3.2 20.9 0.5 CG D:HIS127 3.3 15.3 1.0 OE2 D:GLU124 3.3 23.7 1.0 HB2 D:HIS127 3.5 18.4 1.0 HE2 A:TYR27 3.5 19.4 1.0 HA D:GLU124 3.6 21.4 1.0 HB3 D:HIS127 3.7 18.4 1.0 FE A:FE201 3.7 19.1 0.2 HH A:TYR27 3.7 23.9 1.0 CB D:HIS127 3.7 15.4 1.0 O D:HOH314 3.8 20.5 0.5 HG22 A:THR49 3.9 20.7 1.0 HG23 A:THR49 4.1 20.7 1.0 CG A:GLU53 4.1 14.2 1.0 NE2 D:HIS127 4.2 17.6 1.0 CG D:GLU90 4.3 14.6 1.0 HG21 A:THR49 4.3 20.7 1.0 HG2 A:GLU53 4.3 17.0 1.0 CG2 A:THR49 4.3 17.2 1.0 CG D:GLU124 4.3 15.8 1.0 OH A:TYR27 4.3 19.9 1.0 CD2 D:HIS127 4.3 16.9 1.0 CE2 A:TYR27 4.3 16.1 1.0 HB3 D:GLU124 4.4 21.5 1.0 HG3 A:GLU53 4.4 17.0 1.0 HG3 D:GLU90 4.5 17.6 1.0 HE1 A:HIS56 4.5 20.1 1.0 CA D:GLU124 4.5 17.8 1.0 CB D:GLU124 4.6 17.9 1.0 HG2 D:GLU90 4.6 17.6 1.0 HG2 D:GLU124 4.8 18.9 1.0 HG3 D:GLU124 4.8 18.9 1.0 OE1 D:GLU93 4.8 33.1 1.0 CZ A:TYR27 4.9 19.0 1.0 HE2 D:HIS127 4.9 21.1 1.0 OE1 A:GLU20 5.0 25.3 1.0 HE2 D:TYR131 5.0 21.4 1.0

Iron binding site 8 out of 12 in the Near-Apo Rubrerythrin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Near-Apo Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe204 b:19.0 occ:0.11 OE1 D:GLU53 1.9 24.1 1.0 OE2 A:GLU124 1.9 25.5 1.0 OE1 D:GLU20 1.9 26.9 1.0 ND1 D:HIS56 2.1 14.4 1.0 CD D:GLU20 2.7 22.1 1.0 OE2 D:GLU20 2.9 29.6 1.0 CE1 D:HIS56 2.9 19.6 1.0 CD D:GLU53 2.9 19.4 1.0 HE1 D:HIS56 3.0 23.5 1.0 CD A:GLU124 3.0 19.3 1.0 HA D:GLU53 3.1 15.7 1.0 CG D:HIS56 3.2 11.1 1.0 HB2 D:HIS56 3.3 12.8 1.0 O A:HOH305 3.3 14.8 0.5 OE2 D:GLU53 3.5 20.9 1.0 OE1 A:GLU124 3.5 17.7 1.0 CB D:HIS56 3.6 10.7 1.0 HB3 D:HIS56 3.7 12.8 1.0 FE A:FE202 3.9 17.6 0.1 HE1 A:HIS127 4.0 21.5 1.0 O A:HOH305 4.0 18.6 0.5 CA D:GLU53 4.0 13.1 1.0 CG D:GLU20 4.1 15.7 1.0 NE2 D:HIS56 4.1 14.5 1.0 CG D:GLU53 4.2 14.9 1.0 HB3 D:GLU53 4.2 15.4 1.0 HG3 D:GLU20 4.2 18.8 1.0 CD2 D:HIS56 4.3 13.0 1.0 HE2 A:TYR98 4.3 18.4 1.0 CG A:GLU124 4.3 12.6 1.0 CB D:GLU53 4.3 12.9 1.0 HG2 A:GLU124 4.3 15.1 1.0 HB3 D:GLU20 4.4 18.8 1.0 HG A:LEU120 4.5 17.9 1.0 OE1 A:GLU93 4.5 34.2 1.0 HG3 A:GLU124 4.5 15.1 1.0 N D:GLU53 4.6 13.4 1.0 HA D:GLU20 4.6 16.2 1.0 CE1 A:HIS127 4.6 17.9 1.0 HG3 D:GLU53 4.7 17.9 1.0 HG2 D:GLU20 4.7 18.8 1.0 O D:GLY52 4.7 13.8 1.0 HG2 D:GLU53 4.7 17.9 1.0 HH A:TYR98 4.8 19.1 1.0 CB D:GLU20 4.8 15.7 1.0 ND1 A:HIS127 4.8 15.8 1.0 OH A:TYR98 4.9 15.9 1.0 HE2 D:HIS56 4.9 17.4 1.0 C D:GLY52 4.9 13.8 1.0 HD23 A:LEU120 5.0 22.9 1.0 H D:GLU53 5.0 16.1 1.0

Iron binding site 9 out of 12 in the Near-Apo Rubrerythrin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Near-Apo Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe202 b:19.3 occ:0.12 OE1 E:GLU20 1.8 26.1 1.0 OE2 F:GLU124 1.9 25.1 1.0 OE1 E:GLU53 1.9 27.6 1.0 ND1 E:HIS56 2.2 18.9 1.0 CD E:GLU20 2.5 26.0 1.0 OE2 E:GLU20 2.7 33.9 1.0 CD E:GLU53 3.0 24.3 1.0 CD F:GLU124 3.0 24.2 1.0 CE1 E:HIS56 3.1 19.1 1.0 HE1 E:HIS56 3.2 22.9 1.0 HA E:GLU53 3.2 14.4 1.0 CG E:HIS56 3.3 16.5 1.0 HB2 E:HIS56 3.3 16.8 1.0 O E:HOH324 3.4 21.2 0.5 OE2 E:GLU53 3.5 27.3 1.0 OE1 F:GLU124 3.6 24.2 1.0 CB E:HIS56 3.6 14.0 1.0 HB3 E:HIS56 3.7 16.8 1.0 FE F:FE205 3.8 23.7 0.1 O E:HOH324 3.8 22.2 0.6 CG E:GLU20 3.9 21.9 1.0 CA E:GLU53 4.1 12.0 1.0 HB3 E:GLU53 4.1 17.1 1.0 HG3 E:GLU20 4.1 26.3 1.0 CG E:GLU53 4.2 15.8 1.0 HE1 F:HIS127 4.2 21.3 1.0 HE2 F:TYR98 4.2 26.7 1.0 NE2 E:HIS56 4.2 19.5 1.0 CG F:GLU124 4.3 19.9 1.0 HG2 F:GLU124 4.3 23.9 1.0 CB E:GLU53 4.3 14.2 1.0 CD2 E:HIS56 4.4 16.7 1.0 HB3 E:GLU20 4.4 20.6 1.0 HG F:LEU120 4.5 28.8 1.0 OE1 F:GLU93 4.5 38.6 1.0 HG3 F:GLU124 4.5 23.9 1.0 HA E:GLU20 4.5 16.7 1.0 HG2 E:GLU20 4.6 26.3 1.0 HH F:TYR98 4.6 25.7 1.0 CB E:GLU20 4.7 17.2 1.0 HG3 E:GLU53 4.7 19.0 1.0 N E:GLU53 4.7 14.0 1.0 HG2 E:GLU53 4.8 19.0 1.0 OH F:TYR98 4.8 21.4 1.0 CE1 F:HIS127 4.8 17.7 1.0 O E:GLY52 4.9 16.1 1.0 ND1 F:HIS127 4.9 16.4 1.0 CE2 F:TYR98 5.0 22.3 1.0 HE2 E:HIS56 5.0 23.4 1.0

Iron binding site 10 out of 12 in the Near-Apo Rubrerythrin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Near-Apo Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe203 b:17.6 occ:0.13 OE1 E:GLU124 1.9 21.8 1.0 ND1 E:HIS127 2.0 13.8 1.0 OE2 F:GLU53 2.0 20.5 1.0 OE2 E:GLU90 2.1 21.4 1.0 CD F:GLU53 2.9 21.1 1.0 CE1 E:HIS127 2.9 15.6 1.0 CD E:GLU90 2.9 26.6 1.0 CD E:GLU124 3.0 18.8 1.0 HE1 E:HIS127 3.0 18.7 1.0 OE1 E:GLU90 3.0 24.4 1.0 CG E:HIS127 3.1 13.4 1.0 OE1 F:GLU53 3.1 23.4 1.0 HB2 E:HIS127 3.3 20.0 1.0 OE2 E:GLU124 3.3 22.2 1.0 HB3 E:HIS127 3.4 20.0 1.0 O F:HOH326 3.5 18.6 0.6 CB E:HIS127 3.5 16.7 1.0 HE2 F:TYR27 3.5 18.4 1.0 HA E:GLU124 3.5 15.9 1.0 HH F:TYR27 3.7 24.1 1.0 FE F:FE206 3.8 18.2 0.1 HG22 F:THR49 3.9 19.5 1.0 HG23 F:THR49 3.9 19.5 1.0 NE2 E:HIS127 4.0 15.8 1.0 CD2 E:HIS127 4.1 17.2 1.0 HG21 F:THR49 4.2 19.5 1.0 CG2 F:THR49 4.2 16.2 1.0 CG F:GLU53 4.2 14.1 1.0 CG E:GLU90 4.3 14.9 1.0 CG E:GLU124 4.3 12.4 1.0 HG2 F:GLU53 4.3 16.9 1.0 CE2 F:TYR27 4.4 15.3 1.0 OH F:TYR27 4.4 20.1 1.0 CA E:GLU124 4.4 13.2 1.0 HG3 F:GLU53 4.5 16.9 1.0 HG3 E:GLU90 4.5 17.9 1.0 HB3 E:GLU124 4.5 16.4 1.0 HE1 F:HIS56 4.5 16.6 1.0 CB E:GLU124 4.6 13.7 1.0 HG2 E:GLU90 4.7 17.9 1.0 O F:HOH326 4.8 21.5 0.4 HE2 E:HIS127 4.8 18.9 1.0 HG3 E:GLU124 4.8 14.9 1.0 HG2 E:GLU124 4.8 14.9 1.0 CZ F:TYR27 4.9 18.9 1.0 HE2 E:TYR131 5.0 20.4 1.0 HD2 E:HIS127 5.0 20.7 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