Cobalt in PDB 3ka8: Frog M-Ferritin, Eqh Mutant, with Cobalt

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

The structure of Frog M-Ferritin, Eqh Mutant, with Cobalt, PDB code: 3ka8 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 / 1.35
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	183.490, 183.490, 183.490, 90.00, 90.00, 90.00
R / Rfree (%)	13 / 15.3

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

Magnesium	(Mg)	6 atoms
Chlorine	(Cl)	7 atoms

The binding sites of Cobalt atom in the Frog M-Ferritin, Eqh Mutant, with Cobalt (pdb code 3ka8). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 5 binding sites of Cobalt where determined in the Frog M-Ferritin, Eqh Mutant, with Cobalt, PDB code: 3ka8:
Jump to Cobalt binding site number: 1; 2; 3; 4; 5;

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


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Frog M-Ferritin, Eqh Mutant, with Cobalt within 5.0Å range: probe atom residue distance (Å) B Occ A:Co176 b:11.6 occ:0.25 NE2 A:HIS169 2.2 11.6 1.0 CL A:CL184 2.3 11.1 0.2 O A:HOH342 2.3 13.7 0.2 CE1 A:HIS169 3.1 11.8 1.0 CD2 A:HIS169 3.3 10.6 1.0 ND1 A:HIS169 4.3 11.0 1.0 CG A:HIS169 4.4 10.1 1.0 O A:HOH243 4.5 41.1 1.0

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


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Frog M-Ferritin, Eqh Mutant, with Cobalt within 5.0Å range: probe atom residue distance (Å) B Occ A:Co177 b:7.5 occ:0.70 OE1 A:GLU23 2.0 11.2 1.0 OE1 A:GLU58 2.0 13.9 1.0 O A:HOH363 2.1 10.8 1.0 ND1 A:HIS61 2.1 12.2 1.0 O A:HOH372 2.1 19.2 1.0 CD A:GLU23 3.0 9.5 1.0 CE1 A:HIS61 3.0 14.9 1.0 CD A:GLU58 3.0 14.0 1.0 CG A:HIS61 3.2 10.2 1.0 OE2 A:GLU23 3.3 11.3 1.0 OE2 A:GLU58 3.4 25.9 1.0 CB A:HIS61 3.6 9.3 1.0 CG1 A:VAL106 4.1 10.8 1.0 O A:HOH374 4.1 11.7 1.0 NE2 A:HIS61 4.1 14.4 1.0 OE1 A:GLN137 4.2 11.5 1.0 CD2 A:HIS61 4.3 12.7 1.0 CG A:GLU58 4.3 11.6 1.0 CG A:GLU23 4.3 10.2 1.0 CA A:GLU58 4.4 9.5 1.0 CB A:GLU58 4.5 10.9 1.0 CB A:GLU23 4.8 8.5 1.0 CD A:GLN137 4.9 11.4 1.0 O A:GLU58 5.0 9.9 1.0

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


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of Frog M-Ferritin, Eqh Mutant, with Cobalt within 5.0Å range: probe atom residue distance (Å) B Occ A:Co178 b:9.1 occ:0.70 OE2 A:GLU136 1.9 18.2 1.0 O A:HOH367 2.1 17.7 1.0 NE2 A:HIS140 2.1 10.5 1.0 O A:HOH384 2.2 16.1 1.0 OE2 A:GLU57 2.2 15.3 1.0 OE1 A:GLU57 2.2 13.4 1.0 CD A:GLU57 2.5 14.3 1.0 CD A:GLU136 2.9 14.3 1.0 CE1 A:HIS140 3.1 10.6 1.0 CD2 A:HIS140 3.1 11.5 1.0 CG A:GLU136 3.4 13.3 1.0 O A:HOH212 3.9 28.9 1.0 CG A:GLU57 4.0 12.4 1.0 OE1 A:GLU136 4.1 18.6 1.0 ND1 A:HIS140 4.2 10.3 1.0 CG A:HIS140 4.2 9.1 1.0 O A:HOH442 4.2 24.4 1.0 O A:HOH310 4.3 53.4 1.0 O A:HOH295 4.3 38.9 1.0 O A:HOH195 4.4 30.2 1.0 CE1 A:HIS54 4.5 13.5 1.0 O A:HOH429 4.6 20.8 1.0 O A:HOH443 4.7 28.1 1.0 O A:HOH353 4.9 14.4 1.0 CB A:GLU57 4.9 11.0 1.0 CB A:GLU136 4.9 12.5 1.0

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


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 4 of Frog M-Ferritin, Eqh Mutant, with Cobalt within 5.0Å range: probe atom residue distance (Å) B Occ A:Co179 b:18.3 occ:0.70 OE2 A:GLU60 1.9 28.7 1.0 O A:HOH502 2.0 28.7 1.0 O A:HOH233 2.1 25.5 1.0 OE1 A:GLU63 2.3 19.8 1.0 CD A:GLU60 2.5 19.8 1.0 OE1 A:GLU60 2.5 27.4 1.0 CD A:GLU63 3.1 20.0 1.0 OE2 A:GLU63 3.3 25.5 1.0 CG A:GLU60 4.1 18.5 1.0 O A:HOH477 4.2 30.4 1.0 O A:HOH290 4.4 38.3 1.0 CG A:GLU63 4.5 16.0 1.0 CA A:GLU60 5.0 10.8 1.0 CB A:GLU63 5.0 11.4 1.0

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


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 5 of Frog M-Ferritin, Eqh Mutant, with Cobalt within 5.0Å range: probe atom residue distance (Å) B Occ A:Co180 b:9.2 occ:0.16 O A:HOH360 2.1 12.8 1.0 O A:HOH328 2.1 11.3 1.0 OE2 A:GLU130 3.8 11.8 1.0 O A:HOH373 4.2 15.3 1.0 OE1 A:GLU130 4.2 14.5 1.0 O A:HOH382 4.3 18.0 1.0 CD A:GLU130 4.5 11.1 1.0

T.Tosha, H.L.Ng, O.Bhattasali, T.Alber, E.C.Theil. Moving Metal Ions Through Ferritin-Protein Nanocages From Three-Fold Pores to Catalytic Sites. J.Am.Chem.Soc. V. 132 14562 2010.
ISSN: ISSN 0002-7863
PubMed: 20866049
DOI: 10.1021/JA105583D