Cobalt in PDB 9onn: Co-Bound B. Pseudomallei Rubrerythrin

The structure of Co-Bound B. Pseudomallei Rubrerythrin, PDB code: 9onn 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)	47.64 / 1.53
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	201.805, 201.805, 68.76, 90, 90, 120
R / Rfree (%)	17.1 / 20

Pages:

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

Binding sites:

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

Cobalt binding site 1 out of 12 in the Co-Bound B. Pseudomallei Rubrerythrin


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Co-Bound B. Pseudomallei Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Co201 b:20.4 occ:0.68 OE2 B:GLU124 2.0 23.9 1.0 OE1 A:GLU20 2.1 21.7 1.0 OE1 A:GLU53 2.1 19.7 1.0 O B:HOH306 2.1 21.0 0.5 ND1 A:HIS56 2.1 18.8 1.0 OE2 A:GLU20 2.4 30.3 1.0 CD A:GLU20 2.5 23.1 1.0 CE1 A:HIS56 3.0 20.5 1.0 CD B:GLU124 3.0 22.6 1.0 CD A:GLU53 3.1 22.2 1.0 HE1 A:HIS56 3.1 24.5 1.0 O B:HOH306 3.1 21.6 0.5 HA A:GLU53 3.1 19.4 1.0 CG A:HIS56 3.2 19.8 1.0 HB2 A:HIS56 3.3 20.6 1.0 OE1 B:GLU124 3.5 19.7 1.0 CB A:HIS56 3.6 17.2 1.0 HB3 A:HIS56 3.6 20.6 1.0 OE2 A:GLU53 3.6 15.4 1.0 HB3 A:GLU53 3.8 19.7 1.0 CO B:CO201 3.9 21.4 0.6 CA A:GLU53 4.0 16.2 1.0 CG A:GLU20 4.0 20.3 1.0 HE2 B:TYR98 4.1 23.1 1.0 HE1 B:HIS127 4.1 21.4 1.0 CG A:GLU53 4.2 19.9 1.0 NE2 A:HIS56 4.2 19.4 1.0 CB A:GLU53 4.2 16.5 1.0 HH B:TYR98 4.3 24.9 1.0 OE1 B:GLU93 4.3 24.1 1.0 CG B:GLU124 4.3 18.6 1.0 CD2 A:HIS56 4.3 19.1 1.0 HG3 A:GLU20 4.4 24.2 1.0 HG2 B:GLU124 4.4 22.2 1.0 HB3 A:GLU20 4.4 19.2 1.0 HG B:LEU120 4.5 24.8 0.7 HD13 B:LEU120 4.5 24.6 0.3 HG3 B:GLU124 4.5 22.2 1.0 HG2 A:GLU20 4.5 24.2 1.0 HA A:GLU20 4.5 20.9 1.0 N A:GLU53 4.7 16.5 1.0 HG3 A:GLU53 4.7 23.7 1.0 OH B:TYR98 4.7 20.8 1.0 O B:HOH339 4.7 37.2 1.0 CB A:GLU20 4.7 16.1 1.0 CE1 B:HIS127 4.7 18.0 1.0 O A:HOH311 4.8 33.1 1.0 O A:GLY52 4.8 19.2 1.0 HG2 A:GLU53 4.8 23.7 1.0 ND1 B:HIS127 4.8 18.1 1.0 HB3 B:LEU120 4.9 24.7 0.3 HD23 B:LEU120 4.9 24.6 0.7 CE2 B:TYR98 4.9 19.4 1.0 HE2 A:HIS56 4.9 23.1 1.0 C A:GLY52 5.0 19.2 1.0

Cobalt binding site 2 out of 12 in the Co-Bound B. Pseudomallei Rubrerythrin


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Co-Bound B. Pseudomallei Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Co202 b:20.6 occ:0.45 OE1 A:GLU124 1.9 18.9 1.0 OE2 A:GLU90 2.0 21.3 1.0 OE2 B:GLU53 2.0 18.8 1.0 ND1 A:HIS127 2.2 19.1 1.0 CD A:GLU90 2.7 27.4 1.0 OE1 A:GLU90 2.8 27.5 1.0 CD B:GLU53 2.9 23.4 1.0 O A:HOH328 3.1 26.9 1.0 CD A:GLU124 3.1 21.6 1.0 CE1 A:HIS127 3.1 19.0 1.0 OE1 B:GLU53 3.2 19.4 1.0 CG A:HIS127 3.2 21.2 1.0 HE1 A:HIS127 3.2 22.6 1.0 HB2 A:HIS127 3.3 21.8 1.0 O A:HOH353 3.3 22.8 0.5 HA A:GLU124 3.4 19.6 1.0 HE2 B:TYR27 3.5 24.0 1.0 HB3 A:HIS127 3.5 21.8 1.0 CB A:HIS127 3.5 18.3 1.0 HH B:TYR27 3.6 25.2 1.0 OE2 A:GLU124 3.6 25.1 1.0 O A:HOH353 3.7 24.0 0.5 HG22 B:THR49 3.8 20.4 1.0 CO B:CO202 3.9 17.3 0.6 HG23 B:THR49 4.0 20.4 1.0 HG21 B:THR49 4.1 20.4 1.0 CG A:GLU90 4.1 23.3 1.0 CG2 B:THR49 4.2 17.1 1.0 HB3 A:GLU124 4.2 22.4 1.0 NE2 A:HIS127 4.2 19.6 1.0 CG B:GLU53 4.2 17.9 1.0 CG A:GLU124 4.3 17.3 1.0 CD2 A:HIS127 4.3 22.2 1.0 CA A:GLU124 4.3 16.4 1.0 CE2 B:TYR27 4.3 20.1 1.0 HG3 A:GLU90 4.3 27.9 1.0 OH B:TYR27 4.4 21.1 1.0 HG3 B:GLU53 4.4 21.4 1.0 HE1 B:HIS56 4.5 20.5 1.0 HG2 B:GLU53 4.5 21.4 1.0 HG2 A:GLU90 4.5 27.9 1.0 CB A:GLU124 4.5 18.7 1.0 HE2 A:TYR131 4.7 23.4 1.0 HG3 A:GLU124 4.7 20.7 1.0 OE1 A:GLU93 4.9 22.6 1.0 CZ B:TYR27 4.9 17.9 1.0 HB3 A:GLU90 4.9 23.9 1.0 OE2 A:GLU93 4.9 29.8 1.0 HG2 A:GLU124 5.0 20.7 1.0 HE2 A:HIS127 5.0 23.3 1.0

Cobalt binding site 3 out of 12 in the Co-Bound B. Pseudomallei Rubrerythrin


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of Co-Bound B. Pseudomallei Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ B:Co201 b:21.4 occ:0.62 OE2 B:GLU90 2.0 23.5 1.0 OE2 A:GLU53 2.0 15.4 1.0 OE1 B:GLU124 2.0 19.7 1.0 ND1 B:HIS127 2.1 18.1 1.0 CD B:GLU90 2.7 30.5 1.0 CD A:GLU53 2.8 22.2 1.0 OE1 B:GLU90 2.9 38.7 1.0 O A:HOH311 3.0 33.1 1.0 CE1 B:HIS127 3.1 18.0 1.0 OE1 A:GLU53 3.1 19.7 1.0 CG B:HIS127 3.1 18.2 1.0 CD B:GLU124 3.1 22.6 1.0 HE1 B:HIS127 3.2 21.4 1.0 HB2 B:HIS127 3.2 21.3 1.0 HB3 B:HIS127 3.3 21.3 1.0 CB B:HIS127 3.4 17.8 1.0 HE2 A:TYR27 3.5 22.2 1.0 HA B:GLU124 3.5 19.2 1.0 OE2 B:GLU124 3.6 23.9 1.0 HH A:TYR27 3.6 25.7 1.0 O B:HOH306 3.7 21.6 0.5 O B:HOH306 3.7 21.0 0.5 HG22 A:THR49 3.7 19.8 1.0 HG23 A:THR49 3.8 19.8 1.0 CO A:CO201 3.9 20.4 0.7 HG21 A:THR49 4.0 19.8 1.0 CG2 A:THR49 4.1 16.6 1.0 CG B:GLU90 4.1 30.9 1.0 CG A:GLU53 4.2 19.9 1.0 NE2 B:HIS127 4.2 19.8 1.0 CD2 B:HIS127 4.2 20.1 1.0 CE2 A:TYR27 4.3 18.6 1.0 HB3 B:GLU124 4.4 21.4 1.0 HG3 B:GLU90 4.4 36.9 1.0 HG3 A:GLU53 4.4 23.7 1.0 HG2 A:GLU53 4.4 23.7 1.0 CG B:GLU124 4.4 18.6 1.0 OH A:TYR27 4.4 21.5 1.0 CA B:GLU124 4.4 16.1 1.0 HE1 A:HIS56 4.5 24.5 1.0 HG2 B:GLU90 4.5 36.9 1.0 CB B:GLU124 4.6 17.9 1.0 HE2 B:TYR131 4.6 18.0 1.0 OE1 B:GLU93 4.8 24.1 1.0 HG3 B:GLU124 4.9 22.2 1.0 HB3 B:GLU90 4.9 25.0 1.0 CZ A:TYR27 4.9 19.5 1.0 HE2 B:HIS127 5.0 23.7 1.0 CA B:HIS127 5.0 19.8 1.0

Cobalt binding site 4 out of 12 in the Co-Bound B. Pseudomallei Rubrerythrin


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 4 of Co-Bound B. Pseudomallei Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ B:Co202 b:17.3 occ:0.62 O A:HOH353 1.9 22.8 0.5 OE2 A:GLU124 2.0 25.1 1.0 OE1 B:GLU53 2.0 19.4 1.0 OE1 B:GLU20 2.1 20.9 1.0 ND1 B:HIS56 2.1 18.4 1.0 OE2 B:GLU20 2.3 29.9 1.0 CD B:GLU20 2.5 23.2 1.0 O A:HOH353 2.9 24.0 0.5 CD A:GLU124 3.0 21.6 1.0 CE1 B:HIS56 3.0 17.2 1.0 CD B:GLU53 3.0 23.4 1.0 HE1 B:HIS56 3.1 20.5 1.0 HA B:GLU53 3.2 19.3 1.0 CG B:HIS56 3.2 17.8 1.0 HB2 B:HIS56 3.3 18.9 1.0 OE1 A:GLU124 3.4 18.9 1.0 OE2 B:GLU53 3.6 18.8 1.0 CB B:HIS56 3.6 15.8 1.0 HB3 B:HIS56 3.7 18.9 1.0 CO A:CO202 3.9 20.6 0.5 HB3 B:GLU53 3.9 20.2 1.0 CA B:GLU53 4.0 16.2 1.0 CG B:GLU20 4.0 20.1 1.0 HE1 A:HIS127 4.1 22.6 1.0 HE2 A:TYR98 4.1 25.4 1.0 NE2 B:HIS56 4.1 18.4 1.0 CG B:GLU53 4.2 17.9 1.0 CB B:GLU53 4.2 17.0 1.0 CG A:GLU124 4.2 17.3 1.0 CD2 B:HIS56 4.3 18.4 1.0 OE1 A:GLU93 4.3 22.6 1.0 HG2 A:GLU124 4.4 20.7 1.0 HG A:LEU120 4.4 23.7 1.0 HG3 A:GLU124 4.4 20.7 1.0 HH A:TYR98 4.4 24.8 1.0 HG3 B:GLU20 4.4 24.0 1.0 HG2 B:GLU20 4.5 24.0 1.0 HB3 B:GLU20 4.5 23.8 1.0 HA B:GLU20 4.5 20.1 1.0 O A:HOH328 4.6 26.9 1.0 N B:GLU53 4.7 17.0 1.0 HG3 B:GLU53 4.7 21.4 1.0 O B:HOH383 4.7 33.8 1.0 CE1 A:HIS127 4.7 19.0 1.0 CB B:GLU20 4.8 19.9 1.0 OH A:TYR98 4.8 20.8 1.0 HG2 B:GLU53 4.8 21.4 1.0 O B:GLY52 4.8 18.0 1.0 ND1 A:HIS127 4.9 19.1 1.0 HE2 B:HIS56 4.9 21.9 1.0 CE2 A:TYR98 4.9 21.2 1.0 C B:GLY52 5.0 18.4 1.0

Cobalt binding site 5 out of 12 in the Co-Bound B. Pseudomallei Rubrerythrin


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 5 of Co-Bound B. Pseudomallei Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ C:Co201 b:22.9 occ:0.64 OE2 D:GLU124 1.9 27.5 1.0 ND1 C:HIS56 2.1 21.1 1.0 OE1 C:GLU53 2.1 22.0 1.0 OE1 C:GLU20 2.1 23.9 1.0 OE2 C:GLU20 2.4 32.1 1.0 CD C:GLU20 2.6 25.5 1.0 O D:HOH311 2.8 38.9 1.0 CE1 C:HIS56 3.0 23.0 1.0 CD C:GLU53 3.0 22.3 1.0 CD D:GLU124 3.0 25.2 1.0 HE1 C:HIS56 3.1 27.5 1.0 HA C:GLU53 3.1 20.2 1.0 CG C:HIS56 3.2 19.1 1.0 HB2 C:HIS56 3.3 23.1 1.0 OE1 D:GLU124 3.5 25.7 1.0 OE2 C:GLU53 3.6 21.0 1.0 CB C:HIS56 3.6 19.4 1.0 HB3 C:HIS56 3.6 23.1 1.0 HB3 C:GLU53 3.9 19.0 1.0 CO D:CO201 3.9 20.1 0.6 CA C:GLU53 4.0 17.0 1.0 CG C:GLU20 4.0 19.9 1.0 OE1 D:GLU93 4.1 29.9 1.0 NE2 C:HIS56 4.1 19.5 1.0 CG C:GLU53 4.1 17.3 1.0 HE2 D:TYR98 4.2 27.5 1.0 CB C:GLU53 4.2 15.9 1.0 HE1 D:HIS127 4.2 27.6 1.0 CD2 C:HIS56 4.3 20.1 1.0 CG D:GLU124 4.3 20.3 1.0 HG3 C:GLU20 4.4 23.8 1.0 HG2 D:GLU124 4.4 24.2 1.0 HB3 C:GLU20 4.4 20.0 1.0 HG D:LEU120 4.5 22.0 0.7 HA C:GLU20 4.5 23.2 1.0 HG3 D:GLU124 4.5 24.2 1.0 O C:HOH322 4.5 43.9 1.0 HH D:TYR98 4.5 28.8 1.0 HG2 C:GLU20 4.6 23.8 1.0 HD13 D:LEU120 4.6 27.6 0.3 O D:HOH363 4.6 35.8 1.0 HG3 C:GLU53 4.6 20.6 1.0 N C:GLU53 4.7 17.2 1.0 CB C:GLU20 4.7 16.8 1.0 HG2 C:GLU53 4.8 20.6 1.0 OH D:TYR98 4.8 24.1 1.0 CE1 D:HIS127 4.8 23.1 1.0 O C:GLY52 4.8 18.4 1.0 ND1 D:HIS127 4.9 20.8 1.0 HE2 C:HIS56 4.9 23.3 1.0 HB3 D:LEU120 4.9 27.4 0.3 CE2 D:TYR98 5.0 23.0 1.0 C C:GLY52 5.0 22.5 1.0

Cobalt binding site 6 out of 12 in the Co-Bound B. Pseudomallei Rubrerythrin


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 6 of Co-Bound B. Pseudomallei Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ C:Co202 b:19.7 occ:0.40 OE1 C:GLU124 1.9 21.4 1.0 OE2 D:GLU53 2.0 18.4 1.0 OE2 C:GLU90 2.0 19.7 1.0 ND1 C:HIS127 2.1 19.1 1.0 CD C:GLU90 2.7 27.9 1.0 OE1 C:GLU90 2.8 25.7 1.0 CD D:GLU53 2.9 18.3 1.0 CE1 C:HIS127 3.0 21.3 1.0 CD C:GLU124 3.1 21.4 1.0 CG C:HIS127 3.1 18.8 1.0 O C:HOH340 3.2 31.3 1.0 OE1 D:GLU53 3.2 20.3 1.0 HE1 C:HIS127 3.2 25.5 1.0 HB2 C:HIS127 3.3 19.5 1.0 HB3 C:HIS127 3.4 19.5 1.0 HE2 D:TYR27 3.5 24.5 1.0 HA C:GLU124 3.5 21.6 1.0 CB C:HIS127 3.5 16.3 1.0 O C:HOH334 3.6 30.7 0.5 O C:HOH334 3.6 30.7 0.5 OE2 C:GLU124 3.6 25.9 1.0 HH D:TYR27 3.6 24.4 1.0 HG22 D:THR49 3.8 22.0 1.0 CO D:CO202 3.9 18.7 0.7 HG23 D:THR49 3.9 22.0 1.0 HG21 D:THR49 4.1 22.0 1.0 CG2 D:THR49 4.2 18.4 1.0 CG C:GLU90 4.2 20.9 1.0 HB3 C:GLU124 4.2 24.0 1.0 NE2 C:HIS127 4.2 19.0 1.0 CD2 C:HIS127 4.2 18.0 1.0 CG D:GLU53 4.3 16.8 1.0 CG C:GLU124 4.3 16.1 1.0 CE2 D:TYR27 4.3 20.5 1.0 CA C:GLU124 4.3 18.1 1.0 HG3 C:GLU90 4.4 25.0 1.0 OH D:TYR27 4.4 20.5 1.0 HG3 D:GLU53 4.5 20.0 1.0 HE1 D:HIS56 4.5 24.5 1.0 CB C:GLU124 4.5 20.1 1.0 HG2 D:GLU53 4.5 20.0 1.0 HG2 C:GLU90 4.5 25.0 1.0 HE2 C:TYR131 4.7 21.2 1.0 HG3 C:GLU124 4.8 19.2 1.0 OE1 C:GLU93 4.8 28.9 1.0 CZ D:TYR27 4.9 23.4 1.0 HB3 C:GLU90 4.9 22.8 1.0 HG2 C:GLU124 4.9 19.2 1.0 HE2 C:HIS127 4.9 22.7 1.0 OE2 C:GLU93 5.0 32.4 1.0

Cobalt binding site 7 out of 12 in the Co-Bound B. Pseudomallei Rubrerythrin


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 7 of Co-Bound B. Pseudomallei Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ D:Co201 b:20.1 occ:0.60 OE1 D:GLU124 1.9 25.7 1.0 OE2 D:GLU90 2.0 25.9 1.0 OE2 C:GLU53 2.0 21.0 1.0 ND1 D:HIS127 2.1 20.8 1.0 CD D:GLU90 2.6 31.6 1.0 OE1 D:GLU90 2.7 40.8 1.0 CD C:GLU53 2.9 22.3 1.0 O C:HOH322 3.0 43.9 1.0 CD D:GLU124 3.0 25.2 1.0 CE1 D:HIS127 3.0 23.1 1.0 CG D:HIS127 3.1 24.4 1.0 OE1 C:GLU53 3.1 22.0 1.0 HE1 D:HIS127 3.2 27.6 1.0 HB2 D:HIS127 3.2 24.4 1.0 HB3 D:HIS127 3.4 24.4 1.0 CB D:HIS127 3.5 20.5 1.0 HA D:GLU124 3.5 22.2 1.0 OE2 D:GLU124 3.5 27.5 1.0 HE2 C:TYR27 3.6 28.4 1.0 HH C:TYR27 3.7 28.9 1.0 O D:HOH311 3.8 38.9 1.0 HG22 C:THR49 3.8 21.9 1.0 CO C:CO201 3.9 22.9 0.6 HG23 C:THR49 4.0 21.9 1.0 CG D:GLU90 4.1 27.9 1.0 HB3 D:GLU124 4.2 27.5 1.0 NE2 D:HIS127 4.2 21.0 1.0 HG21 C:THR49 4.2 21.9 1.0 CG2 C:THR49 4.2 18.3 1.0 CD2 D:HIS127 4.2 20.8 1.0 CG C:GLU53 4.2 17.3 1.0 CG D:GLU124 4.3 20.3 1.0 HG3 D:GLU90 4.3 33.3 1.0 CA D:GLU124 4.4 18.6 1.0 HE1 C:HIS56 4.4 27.5 1.0 HG3 C:GLU53 4.4 20.6 1.0 CE2 C:TYR27 4.4 23.8 1.0 HG2 C:GLU53 4.5 20.6 1.0 HG2 D:GLU90 4.5 33.3 1.0 OH C:TYR27 4.5 24.2 1.0 CB D:GLU124 4.5 23.0 1.0 HE2 D:TYR131 4.7 25.9 1.0 OE1 D:GLU93 4.8 29.9 1.0 HB3 D:GLU90 4.8 27.5 1.0 HG3 D:GLU124 4.9 24.2 1.0 HG2 D:GLU124 4.9 24.2 1.0 HE2 D:HIS127 5.0 25.1 1.0 CZ C:TYR27 5.0 22.9 1.0 CA D:HIS127 5.0 21.2 1.0

Cobalt binding site 8 out of 12 in the Co-Bound B. Pseudomallei Rubrerythrin


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 8 of Co-Bound B. Pseudomallei Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ D:Co202 b:18.7 occ:0.70 OE2 C:GLU124 1.9 25.9 1.0 OE1 D:GLU53 2.0 20.3 1.0 OE1 D:GLU20 2.1 20.3 1.0 ND1 D:HIS56 2.1 17.0 1.0 OE2 D:GLU20 2.4 30.2 1.0 O C:HOH334 2.4 30.7 0.5 O C:HOH334 2.5 30.7 0.5 CD D:GLU20 2.6 26.5 1.0 CD C:GLU124 2.9 21.4 1.0 CE1 D:HIS56 3.0 20.5 1.0 CD D:GLU53 3.0 18.3 1.0 HE1 D:HIS56 3.1 24.5 1.0 HA D:GLU53 3.1 17.3 1.0 CG D:HIS56 3.2 18.4 1.0 HB2 D:HIS56 3.3 19.5 1.0 OE1 C:GLU124 3.4 21.4 1.0 CB D:HIS56 3.6 16.3 1.0 OE2 D:GLU53 3.6 18.4 1.0 HB3 D:HIS56 3.7 19.5 1.0 CO C:CO202 3.9 19.7 0.4 HB3 D:GLU53 3.9 22.1 1.0 CA D:GLU53 4.0 14.5 1.0 HE2 C:TYR98 4.0 24.6 1.0 CG D:GLU20 4.1 19.6 1.0 HE1 C:HIS127 4.1 25.5 1.0 NE2 D:HIS56 4.2 17.5 1.0 CG D:GLU53 4.2 16.8 1.0 OE1 C:GLU93 4.2 28.9 1.0 CG C:GLU124 4.2 16.1 1.0 CB D:GLU53 4.2 18.6 1.0 CD2 D:HIS56 4.3 18.8 1.0 HG2 C:GLU124 4.4 19.2 1.0 HG C:LEU120 4.4 22.6 1.0 HG3 C:GLU124 4.4 19.2 1.0 HH C:TYR98 4.4 22.3 1.0 HG3 D:GLU20 4.5 23.4 1.0 HA D:GLU20 4.5 22.9 1.0 O C:HOH405 4.5 34.3 1.0 HB3 D:GLU20 4.5 20.2 1.0 HG2 D:GLU20 4.5 23.4 1.0 N D:GLU53 4.7 18.5 1.0 O C:HOH340 4.7 31.3 1.0 HG3 D:GLU53 4.7 20.0 1.0 CE1 C:HIS127 4.8 21.3 1.0 OH C:TYR98 4.8 18.7 1.0 CB D:GLU20 4.8 16.9 1.0 O D:GLY52 4.8 17.4 1.0 HG2 D:GLU53 4.8 20.0 1.0 CE2 C:TYR98 4.8 20.6 1.0 ND1 C:HIS127 4.9 19.1 1.0 HE2 D:HIS56 4.9 20.8 1.0 C D:GLY52 5.0 19.1 1.0

Cobalt binding site 9 out of 12 in the Co-Bound B. Pseudomallei Rubrerythrin


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 9 of Co-Bound B. Pseudomallei Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ E:Co201 b:24.9 occ:0.70 OE2 F:GLU124 1.9 27.8 1.0 OE1 E:GLU53 2.0 21.0 1.0 OE1 E:GLU20 2.1 23.4 1.0 ND1 E:HIS56 2.1 21.2 1.0 OE2 E:GLU20 2.5 37.0 1.0 O F:HOH360 2.5 36.5 1.0 CD E:GLU20 2.6 28.9 1.0 CE1 E:HIS56 3.0 21.8 1.0 CD F:GLU124 3.0 29.5 1.0 CD E:GLU53 3.0 21.5 1.0 HE1 E:HIS56 3.1 26.0 1.0 HA E:GLU53 3.2 22.7 1.0 CG E:HIS56 3.2 24.7 1.0 HB2 E:HIS56 3.3 22.8 1.0 OE1 F:GLU124 3.5 25.2 1.0 OE2 E:GLU53 3.5 21.3 1.0 CB E:HIS56 3.7 19.1 1.0 HB3 E:HIS56 3.7 22.8 1.0 CO F:CO201 3.8 22.0 0.7 HB3 E:GLU53 3.9 21.4 1.0 CA E:GLU53 4.0 19.0 1.0 CG E:GLU20 4.1 24.3 1.0 HE1 F:HIS127 4.1 28.1 1.0 HE2 F:TYR98 4.1 33.0 1.0 CG E:GLU53 4.2 17.7 1.0 NE2 E:HIS56 4.2 19.3 1.0 CB E:GLU53 4.2 18.0 1.0 CG F:GLU124 4.3 18.1 1.0 OE1 F:GLU93 4.3 33.5 1.0 CD2 E:HIS56 4.3 22.1 1.0 HH F:TYR98 4.3 28.1 1.0 HG2 F:GLU124 4.4 21.6 1.0 HG3 E:GLU20 4.4 29.0 1.0 HG3 F:GLU124 4.5 21.6 1.0 HG F:LEU120 4.5 29.4 1.0 HB3 E:GLU20 4.5 20.5 1.0 HA E:GLU20 4.5 20.3 1.0 HG2 E:GLU20 4.6 29.0 1.0 O E:HOH347 4.6 43.5 1.0 N E:GLU53 4.7 19.6 1.0 HG3 E:GLU53 4.7 21.1 1.0 CE1 F:HIS127 4.7 23.5 1.0 OH F:TYR98 4.7 23.6 1.0 HG2 E:GLU53 4.8 21.1 1.0 CB E:GLU20 4.8 17.2 1.0 O E:GLY52 4.8 18.9 1.0 ND1 F:HIS127 4.8 19.6 1.0 HE2 E:HIS56 4.9 23.0 1.0 CE2 F:TYR98 4.9 27.6 1.0 C E:GLY52 5.0 20.8 1.0

Cobalt binding site 10 out of 12 in the Co-Bound B. Pseudomallei Rubrerythrin


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 10 of Co-Bound B. Pseudomallei Rubrerythrin within 5.0Å range: probe atom residue distance (Å) B Occ E:Co202 b:23.9 occ:0.53 OE2 E:GLU90 1.9 23.9 1.0 OE2 F:GLU53 2.0 16.4 1.0 OE1 E:GLU124 2.1 20.6 1.0 ND1 E:HIS127 2.1 18.3 1.0 CD E:GLU90 2.6 30.9 1.0 OE1 E:GLU90 2.8 31.2 1.0 CD F:GLU53 2.9 19.9 1.0 CE1 E:HIS127 3.1 20.0 1.0 CG E:HIS127 3.1 18.7 1.0 CD E:GLU124 3.2 25.3 1.0 OE1 F:GLU53 3.2 18.7 1.0 HE1 E:HIS127 3.2 23.8 1.0 O F:HOH333 3.2 27.7 1.0 HB2 E:HIS127 3.3 24.6 1.0 HB3 E:HIS127 3.3 24.6 1.0 O E:HOH323 3.4 24.7 0.5 HE2 F:TYR27 3.5 24.4 1.0 CB E:HIS127 3.5 20.6 1.0 HA E:GLU124 3.6 19.5 1.0 HH F:TYR27 3.6 27.4 1.0 OE2 E:GLU124 3.7 24.9 1.0 HG22 F:THR49 3.7 21.3 1.0 O E:HOH323 3.8 24.7 0.5 CO F:CO202 3.9 19.9 0.8 HG23 F:THR49 4.0 21.3 1.0 HG21 F:THR49 4.1 21.3 1.0 CG E:GLU90 4.1 25.5 1.0 CG2 F:THR49 4.1 17.8 1.0 NE2 E:HIS127 4.2 18.1 1.0 CD2 E:HIS127 4.3 20.3 1.0 CG F:GLU53 4.3 18.7 1.0 HB3 E:GLU124 4.3 21.1 1.0 CE2 F:TYR27 4.3 20.5 1.0 HG3 E:GLU90 4.3 30.5 1.0 CG E:GLU124 4.4 19.4 1.0 HG3 F:GLU53 4.4 22.3 1.0 CA E:GLU124 4.4 16.4 1.0 HG2 E:GLU90 4.5 30.5 1.0 HE1 F:HIS56 4.5 20.6 1.0 OH F:TYR27 4.5 23.0 1.0 HG2 F:GLU53 4.5 22.3 1.0 HE2 E:TYR131 4.6 23.3 1.0 CB E:GLU124 4.6 17.6 1.0 HB3 E:GLU90 4.8 24.4 1.0 OE1 E:GLU93 4.8 21.9 1.0 HG3 E:GLU124 4.9 23.2 1.0 CZ F:TYR27 4.9 23.9 1.0 HE2 E:HIS127 5.0 21.6 1.0 CA E:HIS127 5.0 16.6 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