Chlorine in PDB 3ka9: Frog M-Ferritin, Eeh Mutant, with Cobalt

All present enzymatic activity of Frog M-Ferritin, Eeh Mutant, with Cobalt:
1.16.3.1;

The structure of Frog M-Ferritin, Eeh Mutant, with Cobalt, PDB code: 3ka9 was solved by T.Tosha, H.L.Ng, E.Theil, T.Alber, O.Bhattasali, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.45
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	183.452, 183.452, 183.452, 90.00, 90.00, 90.00
R / Rfree (%)	12.9 / 16.5

The structure of Frog M-Ferritin, Eeh Mutant, with Cobalt also contains other interesting chemical elements:

Cobalt	(Co)	7 atoms
Magnesium	(Mg)	5 atoms

The binding sites of Chlorine atom in the Frog M-Ferritin, Eeh Mutant, with Cobalt (pdb code 3ka9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Frog M-Ferritin, Eeh Mutant, with Cobalt, PDB code: 3ka9:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Frog M-Ferritin, Eeh Mutant, with Cobalt


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Frog M-Ferritin, Eeh Mutant, with Cobalt within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl185 b:12.6 occ:0.25 CO A:CO176 2.3 12.7 0.2 NE2 A:HIS169 3.2 11.8 1.0 CE1 A:HIS169 3.3 12.9 1.0 CD2 A:LEU165 3.6 13.0 1.0 CD2 A:HIS169 4.4 12.3 1.0 ND1 A:HIS169 4.5 13.4 1.0 CL A:CL187 4.7 16.7 0.1

Chlorine binding site 2 out of 5 in the Frog M-Ferritin, Eeh Mutant, with Cobalt


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Frog M-Ferritin, Eeh Mutant, with Cobalt within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl186 b:23.4 occ:1.00 N A:ASP87 3.2 11.9 1.0 N A:GLU88 3.6 12.2 1.0 CA A:ARG86 3.8 12.1 1.0 CB A:ARG86 3.8 13.0 1.0 CG A:GLU88 3.9 12.0 0.5 CA A:ASP87 4.0 12.5 1.0 C A:ARG86 4.0 11.8 1.0 CB A:ASP87 4.0 13.0 1.0 O A:GLU88 4.0 14.1 1.0 OE2 A:GLU88 4.2 20.2 0.5 CG A:ARG86 4.2 14.7 1.0 C A:ASP87 4.3 13.4 1.0 CB A:GLU88 4.4 14.9 0.5 CA A:GLU88 4.5 12.4 0.5 O A:HOH297 4.5 36.7 1.0 CA A:GLU88 4.5 11.4 0.5 OD2 A:ASP87 4.6 22.2 1.0 NE A:ARG86 4.6 23.8 1.0 CD A:GLU88 4.6 16.4 0.5 CG A:ASP87 4.6 14.5 1.0 CB A:GLU88 4.7 13.4 0.5 C A:GLU88 4.7 11.6 1.0 O A:HOH474 4.8 26.7 1.0

Chlorine binding site 3 out of 5 in the Frog M-Ferritin, Eeh Mutant, with Cobalt


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Frog M-Ferritin, Eeh Mutant, with Cobalt within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl187 b:16.7 occ:0.12 CO A:CO176 2.3 12.7 0.2 O A:HOH243 3.2 43.3 1.0 NE2 A:HIS169 3.2 11.8 1.0 CD2 A:HIS169 3.6 12.3 1.0 CE1 A:HIS169 4.4 12.9 1.0 CL A:CL185 4.7 12.6 0.2 CG A:HIS169 4.9 11.4 1.0

Chlorine binding site 4 out of 5 in the Frog M-Ferritin, Eeh Mutant, with Cobalt


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Frog M-Ferritin, Eeh Mutant, with Cobalt within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl191 b:21.2 occ:1.00 N A:TYR8 3.3 11.0 1.0 O A:HOH204 3.4 31.7 1.0 N A:ASN7 3.4 10.7 1.0 O A:TYR8 3.5 13.0 1.0 CG A:ARG5 3.5 13.2 1.0 CD A:ARG5 3.6 16.9 1.0 NE A:ARG5 3.6 14.3 1.0 O A:HOH357 3.8 21.3 1.0 C A:GLN6 3.9 10.3 1.0 N A:GLN6 4.0 11.1 1.0 C A:TYR8 4.0 10.0 1.0 CA A:GLN6 4.0 10.2 1.0 CA A:ASN7 4.1 10.6 1.0 CA A:TYR8 4.1 11.0 1.0 C A:ASN7 4.2 11.0 1.0 C A:ARG5 4.3 11.5 1.0 CB A:ARG5 4.4 12.1 1.0 CB A:TYR8 4.4 10.4 1.0 O A:ARG5 4.5 12.5 1.0 O A:GLN6 4.8 10.6 1.0 CZ A:ARG5 4.9 13.8 1.0 CA A:ARG5 5.0 11.8 1.0

Chlorine binding site 5 out of 5 in the Frog M-Ferritin, Eeh Mutant, with Cobalt


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Frog M-Ferritin, Eeh Mutant, with Cobalt within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl192 b:20.8 occ:1.00 O A:HOH418 3.1 21.7 1.0 N A:GLU136 3.2 11.8 1.0 C A:GLU132 3.4 12.9 1.0 N A:TYR133 3.4 12.0 1.0 N A:GLU135 3.5 11.3 1.0 CB A:GLU135 3.5 14.8 1.0 O A:HOH481 3.6 33.4 1.0 O A:SER131 3.6 16.5 1.0 O A:GLU132 3.6 14.7 1.0 CA A:GLU135 3.8 12.2 1.0 C A:TYR133 3.8 11.1 1.0 O A:HOH264 3.8 35.3 1.0 C A:SER131 3.9 14.6 1.0 CA A:GLU132 3.9 13.1 1.0 C A:GLU135 3.9 11.2 1.0 CA A:TYR133 3.9 10.4 1.0 N A:GLU132 4.0 13.1 1.0 CB A:GLU136 4.0 14.8 1.0 O A:HOH269 4.0 42.8 1.0 N A:LEU134 4.1 11.3 1.0 CA A:GLU136 4.2 11.3 1.0 O A:GLU130 4.2 16.8 1.0 O A:TYR133 4.2 12.0 1.0 CG A:GLU135 4.3 14.6 1.0 C A:LEU134 4.5 9.2 1.0 O A:HOH456 4.6 24.1 1.0 CA A:SER131 4.9 14.3 1.0 CA A:LEU134 4.9 9.3 1.0 O A:HOH284 4.9 20.1 1.0 C A:GLU130 5.0 12.9 1.0

T.Tosha, H.L.Ng, E.Theil, T.Alber, O.Bhattasali. Frog M-Ferritin, Eeh Mutant, with Cobalt To Be Published.