Manganese in PDB 9onq: Mn-Bound B. Pseudomallei Rubrerythrin

The structure of Mn-Bound B. Pseudomallei Rubrerythrin, PDB code: 9onq 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)	38.29 / 1.47
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	202.635, 202.635, 69.217, 90, 90, 120
R / Rfree (%)	17.7 / 19.8

Pages:

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

Binding sites:

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

Manganese binding site 1 out of 12 in the Mn-Bound B. Pseudomallei Rubrerythrin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Mn-Bound B. Pseudomallei Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:21.5 occ:0.22 OE2 B:GLU124 1.9 21.6 1.0 OE1 A:GLU20 2.0 21.7 1.0 OE1 A:GLU53 2.0 21.2 1.0 ND1 A:HIS56 2.2 17.9 1.0 CD A:GLU20 2.8 21.3 1.0 CD A:GLU53 3.0 17.8 1.0 CD B:GLU124 3.0 20.6 1.0 OE2 A:GLU20 3.0 24.1 1.0 CE1 A:HIS56 3.1 18.0 1.0 HA A:GLU53 3.1 20.0 1.0 HE1 A:HIS56 3.2 21.6 1.0 CG A:HIS56 3.2 17.9 1.0 HB2 A:HIS56 3.2 20.1 1.0 OE1 B:GLU124 3.4 17.9 1.0 OE2 A:GLU53 3.4 17.6 1.0 O B:HOH322 3.5 23.8 1.0 CB A:HIS56 3.6 16.8 1.0 HB3 A:HIS56 3.7 20.1 1.0 MN B:MN201 3.7 20.7 0.1 HE1 B:HIS127 3.9 19.6 1.0 CA A:GLU53 4.0 16.7 1.0 HB3 A:GLU53 4.0 22.1 1.0 CG A:GLU20 4.1 19.7 1.0 HH B:TYR98 4.1 24.9 1.0 CG A:GLU53 4.2 16.9 1.0 NE2 A:HIS56 4.2 20.0 1.0 CG B:GLU124 4.2 20.2 1.0 HG3 A:GLU20 4.3 23.7 1.0 CB A:GLU53 4.3 18.4 1.0 HE2 B:TYR98 4.3 24.6 1.0 HG2 B:GLU124 4.3 24.2 1.0 CD2 A:HIS56 4.3 17.4 1.0 HB3 A:GLU20 4.4 22.8 1.0 OE1 B:GLU93 4.5 25.6 1.0 HG B:LEU120 4.5 25.0 1.0 HG3 B:GLU124 4.5 24.2 1.0 CE1 B:HIS127 4.5 16.3 1.0 N A:GLU53 4.6 17.1 1.0 HA A:GLU20 4.6 19.6 1.0 ND1 B:HIS127 4.7 17.6 1.0 O A:GLY52 4.7 17.9 1.0 HG3 A:GLU53 4.7 20.2 1.0 HG2 A:GLU53 4.7 20.2 1.0 HG2 A:GLU20 4.8 23.7 1.0 CB A:GLU20 4.8 19.0 1.0 OH B:TYR98 4.9 20.8 1.0 C A:GLY52 4.9 18.1 1.0 HE2 A:HIS56 5.0 24.0 1.0

Manganese binding site 2 out of 12 in the Mn-Bound B. Pseudomallei Rubrerythrin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Mn-Bound B. Pseudomallei Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:24.5 occ:0.16 OE1 A:GLU124 2.0 18.3 1.0 OE2 B:GLU53 2.0 18.7 1.0 OE2 A:GLU90 2.0 19.1 1.0 ND1 A:HIS127 2.1 18.2 1.0 CD B:GLU53 2.8 20.9 1.0 CD A:GLU90 2.9 22.4 1.0 CE1 A:HIS127 3.0 17.6 1.0 OE1 B:GLU53 3.0 19.3 1.0 OE1 A:GLU90 3.0 19.2 1.0 CD A:GLU124 3.1 23.0 1.0 HE1 A:HIS127 3.1 21.1 1.0 CG A:HIS127 3.2 17.2 1.0 HE2 B:TYR27 3.3 21.0 1.0 HB2 A:HIS127 3.4 23.4 1.0 HB3 A:HIS127 3.4 23.4 1.0 HH B:TYR27 3.5 24.2 1.0 O A:HOH310 3.5 23.1 1.0 OE2 A:GLU124 3.5 22.1 1.0 CB A:HIS127 3.5 19.5 1.0 O A:HOH301 3.6 37.7 1.0 HA A:GLU124 3.6 19.7 1.0 HG22 B:THR49 3.7 22.6 1.0 MN B:MN202 3.8 22.8 0.2 HG23 B:THR49 4.1 22.6 1.0 HG21 B:THR49 4.1 22.6 1.0 CG B:GLU53 4.1 17.4 1.0 NE2 A:HIS127 4.2 18.0 1.0 CE2 B:TYR27 4.2 17.5 1.0 CG2 B:THR49 4.2 18.8 1.0 OH B:TYR27 4.3 20.2 1.0 CD2 A:HIS127 4.3 18.7 1.0 CG A:GLU90 4.3 20.0 1.0 HG2 B:GLU53 4.3 20.9 1.0 HG3 B:GLU53 4.4 20.9 1.0 CG A:GLU124 4.4 20.5 1.0 HB3 A:GLU124 4.4 21.9 1.0 HG3 A:GLU90 4.5 24.0 1.0 CA A:GLU124 4.5 16.4 1.0 OE2 A:GLU93 4.6 26.7 1.0 HG2 A:GLU90 4.6 24.0 1.0 CB A:GLU124 4.7 18.2 1.0 HE1 B:HIS56 4.7 20.6 1.0 CZ B:TYR27 4.7 16.9 1.0 HE2 A:TYR131 4.8 22.6 1.0 HG3 A:GLU124 4.9 24.6 1.0 OE1 A:GLU93 4.9 22.8 1.0 HE2 A:HIS127 4.9 21.6 1.0 HG2 A:GLU124 5.0 24.6 1.0 HB1 B:ALA23 5.0 21.4 1.0

Manganese binding site 3 out of 12 in the Mn-Bound B. Pseudomallei Rubrerythrin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Mn-Bound B. Pseudomallei Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn201 b:20.7 occ:0.14 OE2 A:GLU53 1.9 17.6 1.0 OE2 B:GLU90 2.0 19.6 1.0 OE1 B:GLU124 2.0 17.9 1.0 ND1 B:HIS127 2.1 17.6 1.0 CD A:GLU53 2.7 17.8 1.0 CD B:GLU90 2.9 21.4 1.0 CE1 B:HIS127 3.0 16.3 1.0 OE1 A:GLU53 3.0 21.2 1.0 OE1 B:GLU90 3.1 21.6 1.0 HE1 B:HIS127 3.1 19.6 1.0 CD B:GLU124 3.1 20.6 1.0 CG B:HIS127 3.2 15.3 1.0 HE2 A:TYR27 3.3 21.2 1.0 HB2 B:HIS127 3.4 20.8 1.0 HB3 B:HIS127 3.4 20.8 1.0 O B:HOH322 3.5 23.8 1.0 OE2 B:GLU124 3.5 21.6 1.0 CB B:HIS127 3.6 17.3 1.0 HH A:TYR27 3.6 23.8 1.0 HG22 A:THR49 3.6 19.4 1.0 HA B:GLU124 3.7 22.9 1.0 MN A:MN201 3.7 21.5 0.2 HG23 A:THR49 4.0 19.4 1.0 HG21 A:THR49 4.0 19.4 1.0 CG2 A:THR49 4.1 16.2 1.0 CG A:GLU53 4.1 16.9 1.0 NE2 B:HIS127 4.1 17.9 1.0 CE2 A:TYR27 4.2 17.7 1.0 OH A:TYR27 4.2 19.8 1.0 CD2 B:HIS127 4.3 17.0 1.0 HG2 A:GLU53 4.3 20.2 1.0 CG B:GLU90 4.3 19.5 1.0 HG3 A:GLU53 4.3 20.2 1.0 HB3 B:GLU124 4.4 24.3 1.0 CG B:GLU124 4.4 20.2 1.0 HG3 B:GLU90 4.5 23.4 1.0 CA B:GLU124 4.6 19.1 1.0 HG2 B:GLU90 4.6 23.4 1.0 HE1 A:HIS56 4.6 21.6 1.0 CB B:GLU124 4.7 20.3 1.0 CZ A:TYR27 4.7 17.6 1.0 HE2 B:TYR131 4.8 21.1 1.0 HE2 B:HIS127 4.9 21.5 1.0 HG2 B:GLU124 4.9 24.2 1.0 HG3 B:GLU124 4.9 24.2 1.0 OE1 B:GLU93 5.0 25.6 1.0 HB1 A:ALA23 5.0 23.6 1.0

Manganese binding site 4 out of 12 in the Mn-Bound B. Pseudomallei Rubrerythrin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Mn-Bound B. Pseudomallei Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn202 b:22.8 occ:0.21 OE1 B:GLU20 1.9 22.2 1.0 OE1 B:GLU53 2.0 19.3 1.0 OE2 A:GLU124 2.0 22.1 1.0 ND1 B:HIS56 2.1 18.4 1.0 O A:HOH301 2.2 37.7 1.0 CD B:GLU20 2.8 23.5 1.0 CD B:GLU53 3.0 20.9 1.0 HA B:GLU53 3.1 20.3 1.0 CE1 B:HIS56 3.1 17.1 1.0 CD A:GLU124 3.1 23.0 1.0 HB2 B:HIS56 3.2 20.0 1.0 CG B:HIS56 3.2 18.4 1.0 HE1 B:HIS56 3.2 20.6 1.0 OE2 B:GLU20 3.2 23.6 1.0 OE2 B:GLU53 3.5 18.7 1.0 CB B:HIS56 3.5 16.6 1.0 OE1 A:GLU124 3.5 18.3 1.0 HB3 B:HIS56 3.6 20.0 1.0 MN A:MN202 3.8 24.5 0.2 O A:HOH310 3.8 23.1 1.0 HE1 A:HIS127 3.9 21.1 1.0 CA B:GLU53 3.9 16.9 1.0 HB3 B:GLU53 4.0 21.1 1.0 CG B:GLU20 4.1 20.5 1.0 CG B:GLU53 4.1 17.4 1.0 HG3 B:GLU20 4.2 24.6 1.0 NE2 B:HIS56 4.2 19.1 1.0 HH A:TYR98 4.2 27.3 1.0 CB B:GLU53 4.2 17.6 1.0 CD2 B:HIS56 4.3 17.4 1.0 CG A:GLU124 4.4 20.5 1.0 HB3 B:GLU20 4.4 25.6 1.0 HG2 A:GLU124 4.4 24.6 1.0 HG A:LEU120 4.5 25.7 1.0 HE2 A:TYR98 4.5 25.9 1.0 CE1 A:HIS127 4.5 17.6 1.0 N B:GLU53 4.5 17.8 1.0 OE1 A:GLU93 4.6 22.8 1.0 HA B:GLU20 4.6 20.9 1.0 O B:GLY52 4.6 18.0 1.0 HG3 A:GLU124 4.6 24.6 1.0 HG2 B:GLU53 4.7 20.9 1.0 ND1 A:HIS127 4.7 18.2 1.0 HG3 B:GLU53 4.7 20.9 1.0 CB B:GLU20 4.7 21.4 1.0 C B:GLY52 4.8 16.1 1.0 HG2 B:GLU20 4.8 24.6 1.0 H B:HIS56 4.9 22.1 1.0 H B:GLU53 5.0 21.3 1.0 HE2 B:HIS56 5.0 22.9 1.0 OH A:TYR98 5.0 22.8 1.0

Manganese binding site 5 out of 12 in the Mn-Bound B. Pseudomallei Rubrerythrin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Mn-Bound B. Pseudomallei Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn201 b:24.6 occ:0.27 OE2 D:GLU124 1.9 25.2 1.0 OE1 C:GLU53 2.0 22.4 1.0 OE1 C:GLU20 2.0 24.5 1.0 ND1 C:HIS56 2.2 21.9 1.0 CD C:GLU20 2.8 26.0 1.0 CD D:GLU124 3.0 20.9 1.0 CD C:GLU53 3.0 20.1 1.0 OE2 C:GLU20 3.0 28.9 1.0 CE1 C:HIS56 3.1 18.5 1.0 HA C:GLU53 3.1 22.0 1.0 HE1 C:HIS56 3.2 22.2 1.0 CG C:HIS56 3.2 19.9 1.0 HB2 C:HIS56 3.3 22.8 1.0 OE1 D:GLU124 3.4 21.9 1.0 OE2 C:GLU53 3.5 19.4 1.0 O D:HOH308 3.6 26.6 1.0 CB C:HIS56 3.6 19.0 1.0 HB3 C:HIS56 3.7 22.8 1.0 MN D:MN201 3.7 24.6 0.2 HE1 D:HIS127 3.9 23.1 1.0 HB3 C:GLU53 4.0 22.6 1.0 CA C:GLU53 4.0 18.3 1.0 CG C:GLU53 4.1 17.4 1.0 CG C:GLU20 4.2 21.1 1.0 NE2 C:HIS56 4.2 20.2 1.0 CB C:GLU53 4.2 18.8 1.0 CG D:GLU124 4.2 21.9 1.0 HG2 D:GLU124 4.3 26.2 1.0 CD2 C:HIS56 4.3 19.5 1.0 HG3 C:GLU20 4.3 25.4 1.0 HE2 D:TYR98 4.3 27.2 1.0 OE1 D:GLU93 4.4 28.0 1.0 HG3 D:GLU124 4.5 26.2 1.0 HB3 C:GLU20 4.5 22.8 1.0 CE1 D:HIS127 4.5 19.3 1.0 HD13 D:LEU120 4.6 29.7 1.0 N C:GLU53 4.6 17.1 1.0 HA C:GLU20 4.6 23.7 1.0 O C:GLY52 4.7 18.5 1.0 HG2 C:GLU53 4.7 20.9 1.0 ND1 D:HIS127 4.7 18.8 1.0 HG3 C:GLU53 4.7 20.9 1.0 HG2 C:GLU20 4.8 25.4 1.0 C C:GLY52 4.9 19.4 1.0 CB C:GLU20 4.9 19.0 1.0 HH D:TYR98 4.9 29.9 1.0 HB3 D:LEU120 4.9 27.9 1.0 OH D:TYR98 4.9 24.9 1.0 H C:HIS56 5.0 22.9 1.0 HE2 C:HIS56 5.0 24.2 1.0

Manganese binding site 6 out of 12 in the Mn-Bound B. Pseudomallei Rubrerythrin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of Mn-Bound B. Pseudomallei Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn202 b:21.1 occ:0.18 ND1 C:HIS127 1.9 18.2 1.0 OE1 C:GLU124 2.0 18.9 1.0 OE2 D:GLU53 2.0 19.5 1.0 OE2 C:GLU90 2.1 18.3 1.0 CD D:GLU53 2.8 17.9 1.0 CE1 C:HIS127 2.8 19.1 1.0 HE1 C:HIS127 2.9 23.0 1.0 OE1 D:GLU53 2.9 19.1 1.0 CD C:GLU90 2.9 21.8 1.0 CD C:GLU124 3.0 19.8 1.0 CG C:HIS127 3.0 18.1 1.0 OE1 C:GLU90 3.1 20.7 1.0 HB2 C:HIS127 3.3 20.9 1.0 HE2 D:TYR27 3.3 20.7 1.0 OE2 C:GLU124 3.4 22.1 1.0 HB3 C:HIS127 3.4 20.9 1.0 CB C:HIS127 3.5 17.4 1.0 O C:HOH304 3.6 22.9 1.0 HA C:GLU124 3.6 21.9 1.0 HG22 D:THR49 3.7 21.6 1.0 MN D:MN202 3.8 19.0 0.1 HH D:TYR27 3.9 24.2 1.0 HG23 D:THR49 3.9 21.6 1.0 NE2 C:HIS127 4.0 16.9 1.0 HG21 D:THR49 4.1 21.6 1.0 CD2 C:HIS127 4.1 17.9 1.0 CG2 D:THR49 4.1 18.0 1.0 CG D:GLU53 4.2 17.2 1.0 CE2 D:TYR27 4.2 17.2 1.0 HG2 D:GLU53 4.3 20.6 1.0 OH D:TYR27 4.3 20.1 1.0 CG C:GLU124 4.4 19.2 1.0 CG C:GLU90 4.4 18.8 1.0 HG3 D:GLU53 4.4 20.6 1.0 CA C:GLU124 4.5 18.2 1.0 HB3 C:GLU124 4.5 22.7 1.0 HG3 C:GLU90 4.6 22.6 1.0 HE1 D:HIS56 4.6 22.4 1.0 OE2 C:GLU93 4.7 29.4 1.0 CB C:GLU124 4.7 18.9 1.0 HG2 C:GLU90 4.7 22.6 1.0 HE2 C:HIS127 4.7 20.3 1.0 CZ D:TYR27 4.8 20.3 1.0 HE2 C:TYR131 4.8 23.0 1.0 HG2 C:GLU124 4.9 23.1 1.0 HG3 C:GLU124 4.9 23.1 1.0 HD2 C:HIS127 5.0 21.5 1.0

Manganese binding site 7 out of 12 in the Mn-Bound B. Pseudomallei Rubrerythrin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 7 of Mn-Bound B. Pseudomallei Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn201 b:24.6 occ:0.16 OE1 D:GLU124 1.9 21.9 1.0 OE2 C:GLU53 2.0 19.4 1.0 OE2 D:GLU90 2.0 21.6 1.0 ND1 D:HIS127 2.1 18.8 1.0 CD C:GLU53 2.8 20.1 1.0 CD D:GLU90 2.8 24.8 1.0 OE1 D:GLU90 2.9 25.5 1.0 CD D:GLU124 3.0 20.9 1.0 OE1 C:GLU53 3.0 22.4 1.0 CE1 D:HIS127 3.0 19.3 1.0 HE1 D:HIS127 3.1 23.1 1.0 CG D:HIS127 3.2 18.3 1.0 OE2 D:GLU124 3.4 25.2 1.0 HB2 D:HIS127 3.4 23.9 1.0 HE2 C:TYR27 3.4 22.4 1.0 O D:HOH308 3.5 26.6 1.0 HH C:TYR27 3.6 25.4 1.0 HB3 D:HIS127 3.6 23.9 1.0 HA D:GLU124 3.6 25.4 1.0 CB D:HIS127 3.7 19.9 1.0 MN C:MN201 3.7 24.6 0.3 HG22 C:THR49 3.9 22.8 1.0 CG C:GLU53 4.2 17.4 1.0 NE2 D:HIS127 4.2 20.5 1.0 HG23 C:THR49 4.2 22.8 1.0 CG D:GLU90 4.2 22.9 1.0 OH C:TYR27 4.3 21.2 1.0 CG D:GLU124 4.3 21.9 1.0 CE2 C:TYR27 4.3 18.6 1.0 HG21 C:THR49 4.3 22.8 1.0 CD2 D:HIS127 4.3 20.5 1.0 HB3 D:GLU124 4.3 28.7 1.0 CG2 C:THR49 4.4 19.0 1.0 HG2 C:GLU53 4.4 20.9 1.0 HG3 C:GLU53 4.4 20.9 1.0 HG3 D:GLU90 4.5 27.5 1.0 CA D:GLU124 4.5 21.2 1.0 HG2 D:GLU90 4.6 27.5 1.0 CB D:GLU124 4.6 23.9 1.0 HE1 C:HIS56 4.7 22.2 1.0 OE1 D:GLU93 4.7 28.0 1.0 CZ C:TYR27 4.8 21.4 1.0 HG3 D:GLU124 4.8 26.2 1.0 HG2 D:GLU124 4.8 26.2 1.0 HE2 D:TYR131 4.9 25.9 1.0 HE2 D:HIS127 4.9 24.6 1.0 HB1 C:ALA23 5.0 26.0 1.0

Manganese binding site 8 out of 12 in the Mn-Bound B. Pseudomallei Rubrerythrin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 8 of Mn-Bound B. Pseudomallei Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn202 b:19.0 occ:0.15 OE1 D:GLU20 1.9 22.1 1.0 OE2 C:GLU124 1.9 22.1 1.0 OE1 D:GLU53 2.0 19.1 1.0 ND1 D:HIS56 2.1 16.5 1.0 CD D:GLU20 2.8 22.6 1.0 CD D:GLU53 3.0 17.9 1.0 CD C:GLU124 3.0 19.8 1.0 CE1 D:HIS56 3.0 18.6 1.0 HA D:GLU53 3.0 19.8 1.0 OE2 D:GLU20 3.1 23.2 1.0 HE1 D:HIS56 3.2 22.4 1.0 CG D:HIS56 3.2 15.5 1.0 HB2 D:HIS56 3.2 18.9 1.0 OE1 C:GLU124 3.5 18.9 1.0 OE2 D:GLU53 3.5 19.5 1.0 CB D:HIS56 3.6 15.8 1.0 HB3 D:HIS56 3.6 18.9 1.0 O C:HOH304 3.7 22.9 1.0 MN C:MN202 3.8 21.1 0.2 HE1 C:HIS127 3.9 23.0 1.0 CA D:GLU53 3.9 16.5 1.0 HB3 D:GLU53 4.1 19.9 1.0 CG D:GLU20 4.1 19.9 1.0 CG D:GLU53 4.2 17.2 1.0 NE2 D:HIS56 4.2 17.9 1.0 HG3 D:GLU20 4.2 23.8 1.0 CG C:GLU124 4.3 19.2 1.0 HG2 C:GLU124 4.3 23.1 1.0 CD2 D:HIS56 4.3 16.8 1.0 CB D:GLU53 4.3 16.6 1.0 HE2 C:TYR98 4.3 24.3 1.0 HB3 D:GLU20 4.4 22.0 1.0 HG C:LEU120 4.5 21.5 1.0 OE1 C:GLU93 4.5 25.2 1.0 N D:GLU53 4.5 16.3 1.0 HG3 C:GLU124 4.5 23.1 1.0 CE1 C:HIS127 4.6 19.1 1.0 HA D:GLU20 4.6 20.4 1.0 O D:GLY52 4.6 17.1 1.0 HG2 D:GLU53 4.7 20.6 1.0 ND1 C:HIS127 4.7 18.2 1.0 HG3 D:GLU53 4.7 20.6 1.0 HG2 D:GLU20 4.8 23.8 1.0 CB D:GLU20 4.8 18.4 1.0 C D:GLY52 4.8 18.3 1.0 OH C:TYR98 4.9 19.1 1.0 H D:HIS56 4.9 21.9 1.0 HE2 D:HIS56 4.9 21.5 1.0 H D:GLU53 5.0 19.6 1.0

Manganese binding site 9 out of 12 in the Mn-Bound B. Pseudomallei Rubrerythrin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 9 of Mn-Bound B. Pseudomallei Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ E:Mn201 b:25.4 occ:0.27 OE2 F:GLU124 1.9 27.9 1.0 OE1 E:GLU20 1.9 24.1 1.0 OE1 E:GLU53 1.9 23.0 1.0 ND1 E:HIS56 2.2 20.1 1.0 CD E:GLU20 2.8 25.1 1.0 CD E:GLU53 2.9 19.7 1.0 CD F:GLU124 3.0 25.0 1.0 OE2 E:GLU20 3.0 29.6 1.0 CE1 E:HIS56 3.1 22.6 1.0 HA E:GLU53 3.2 22.1 1.0 HE1 E:HIS56 3.2 27.1 1.0 CG E:HIS56 3.3 21.2 1.0 HB2 E:HIS56 3.3 21.6 1.0 O F:HOH327 3.4 27.7 1.0 OE1 F:GLU124 3.5 22.8 1.0 OE2 E:GLU53 3.5 21.6 1.0 CB E:HIS56 3.7 18.0 1.0 HB3 E:HIS56 3.7 21.6 1.0 MN F:MN201 3.8 25.0 0.2 HE1 F:HIS127 4.0 23.8 1.0 HB3 E:GLU53 4.0 22.1 1.0 CA E:GLU53 4.0 18.4 1.0 CG E:GLU20 4.1 24.5 1.0 CG E:GLU53 4.2 17.8 1.0 CG F:GLU124 4.2 22.7 1.0 NE2 E:HIS56 4.3 20.0 1.0 HG3 E:GLU20 4.3 29.4 1.0 HG2 F:GLU124 4.3 27.2 1.0 CB E:GLU53 4.3 18.4 1.0 HE2 F:TYR98 4.3 32.6 1.0 OE1 F:GLU93 4.3 31.3 1.0 CD2 E:HIS56 4.4 20.9 1.0 HG3 F:GLU124 4.5 27.2 1.0 HG F:LEU120 4.5 28.8 1.0 CE1 F:HIS127 4.6 19.8 1.0 HB3 E:GLU20 4.6 24.7 1.0 HA E:GLU20 4.6 20.8 1.0 N E:GLU53 4.6 19.9 1.0 ND1 F:HIS127 4.7 21.2 1.0 HG2 E:GLU53 4.7 21.3 1.0 O E:GLY52 4.7 19.4 1.0 HG3 E:GLU53 4.7 21.3 1.0 HG2 E:GLU20 4.8 29.4 1.0 OH F:TYR98 4.8 24.5 1.0 C E:GLY52 4.9 20.0 1.0 CB E:GLU20 4.9 20.6 1.0

Manganese binding site 10 out of 12 in the Mn-Bound B. Pseudomallei Rubrerythrin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 10 of Mn-Bound B. Pseudomallei Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ E:Mn202 b:21.5 occ:0.18 OE2 F:GLU53 2.0 19.2 1.0 OE1 E:GLU124 2.0 19.0 1.0 OE2 E:GLU90 2.0 20.8 1.0 ND1 E:HIS127 2.1 18.1 1.0 CD F:GLU53 2.8 20.8 1.0 CD E:GLU90 2.8 21.6 1.0 CE1 E:HIS127 2.9 18.2 1.0 OE1 E:GLU90 3.0 23.0 1.0 OE1 F:GLU53 3.0 21.2 1.0 CD E:GLU124 3.0 21.5 1.0 HE1 E:HIS127 3.1 21.9 1.0 CG E:HIS127 3.2 18.0 1.0 HE2 F:TYR27 3.3 22.1 1.0 HB2 E:HIS127 3.4 22.8 1.0 OE2 E:GLU124 3.4 25.2 1.0 HB3 E:HIS127 3.5 22.8 1.0 O E:HOH326 3.5 23.4 1.0 CB E:HIS127 3.6 19.0 1.0 HA E:GLU124 3.7 22.7 1.0 MN F:MN202 3.7 22.0 0.2 HG22 F:THR49 3.7 20.2 1.0 HH F:TYR27 3.8 25.8 1.0 HG23 F:THR49 4.1 20.2 1.0 NE2 E:HIS127 4.1 17.4 1.0 CG F:GLU53 4.1 16.6 1.0 CE2 F:TYR27 4.2 18.4 1.0 HG21 F:THR49 4.2 20.2 1.0 CG2 F:THR49 4.2 16.8 1.0 CG E:GLU90 4.2 19.5 1.0 OH F:TYR27 4.2 21.5 1.0 CD2 E:HIS127 4.2 21.1 1.0 HG2 F:GLU53 4.3 19.9 1.0 HG3 F:GLU53 4.4 19.9 1.0 CG E:GLU124 4.4 18.8 1.0 HG3 E:GLU90 4.4 23.4 1.0 HB3 E:GLU124 4.5 22.9 1.0 HG2 E:GLU90 4.6 23.4 1.0 CA E:GLU124 4.6 18.9 1.0 HE1 F:HIS56 4.6 21.2 1.0 CZ F:TYR27 4.7 21.8 1.0 CB E:GLU124 4.7 19.1 1.0 HE2 E:TYR131 4.8 22.7 1.0 HE2 E:HIS127 4.9 20.9 1.0 HG3 E:GLU124 4.9 22.5 1.0 HG2 E:GLU124 4.9 22.5 1.0 HB1 F:ALA23 5.0 19.8 1.0 OE1 E:GLU93 5.0 24.8 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