Cobalt in PDB 6b86: 2.2A Crystal Structure of Co-CAO1

The structure of 2.2A Crystal Structure of Co-CAO1, PDB code: 6b86 was solved by H.E.Hill, P.D.Kiser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.12 / 2.20
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	100.695, 100.695, 448.380, 90.00, 90.00, 120.00
R / Rfree (%)	17.9 / 20.5

The binding sites of Cobalt atom in the 2.2A Crystal Structure of Co-CAO1 (pdb code 6b86). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 4 binding sites of Cobalt where determined in the 2.2A Crystal Structure of Co-CAO1, PDB code: 6b86:
Jump to Cobalt binding site number: 1; 2; 3; 4;

Cobalt binding site 1 out of 4 in the 2.2A Crystal Structure of Co-CAO1


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of 2.2A Crystal Structure of Co-CAO1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Co601 b:47.6 occ:1.00 NE2 A:HIS313 2.0 45.0 1.0 O A:HOH760 2.0 56.8 1.0 NE2 A:HIS197 2.1 42.0 1.0 NE2 A:HIS510 2.1 50.1 1.0 NE2 A:HIS248 2.1 44.2 1.0 CE1 A:HIS197 2.9 46.0 1.0 CD2 A:HIS313 2.9 43.1 1.0 CE1 A:HIS313 3.0 48.3 1.0 CD2 A:HIS510 3.0 42.2 1.0 CE1 A:HIS510 3.1 49.5 1.0 CD2 A:HIS248 3.1 41.0 1.0 CE1 A:HIS248 3.1 44.5 1.0 CD2 A:HIS197 3.2 46.9 1.0 CG A:HIS313 4.1 44.5 1.0 ND1 A:HIS197 4.1 46.3 1.0 ND1 A:HIS313 4.1 46.8 1.0 ND1 A:HIS510 4.1 48.0 1.0 CG A:HIS510 4.1 45.5 1.0 ND1 A:HIS248 4.2 46.6 1.0 CG A:HIS197 4.2 45.8 1.0 CG A:HIS248 4.2 45.6 1.0 CG2 A:THR151 4.5 47.7 1.0

Cobalt binding site 2 out of 4 in the 2.2A Crystal Structure of Co-CAO1


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of 2.2A Crystal Structure of Co-CAO1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Co601 b:42.7 occ:1.00 O B:HOH735 1.9 39.9 1.0 NE2 B:HIS197 2.0 36.1 1.0 NE2 B:HIS313 2.0 40.2 1.0 NE2 B:HIS248 2.1 49.4 1.0 NE2 B:HIS510 2.1 43.9 1.0 CE1 B:HIS197 2.9 41.1 1.0 CD2 B:HIS313 2.9 40.6 1.0 CD2 B:HIS510 3.0 42.7 1.0 CD2 B:HIS248 3.1 45.2 1.0 CE1 B:HIS248 3.1 49.1 1.0 CE1 B:HIS510 3.1 46.1 1.0 CD2 B:HIS197 3.1 36.1 1.0 CE1 B:HIS313 3.1 40.7 1.0 ND1 B:HIS197 4.0 36.1 1.0 CG B:HIS313 4.1 39.4 1.0 ND1 B:HIS510 4.1 44.1 1.0 CG B:HIS510 4.1 46.0 1.0 ND1 B:HIS313 4.1 39.5 1.0 ND1 B:HIS248 4.2 48.5 1.0 CG B:HIS197 4.2 34.8 1.0 CG B:HIS248 4.2 47.1 1.0 CG2 B:THR151 4.5 40.2 1.0

Cobalt binding site 3 out of 4 in the 2.2A Crystal Structure of Co-CAO1


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of 2.2A Crystal Structure of Co-CAO1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Co601 b:43.7 occ:1.00 NE2 C:HIS197 2.0 44.9 1.0 NE2 C:HIS313 2.1 47.8 1.0 NE2 C:HIS248 2.1 40.7 1.0 O C:HOH777 2.1 49.1 1.0 NE2 C:HIS510 2.1 46.5 1.0 CE1 C:HIS197 2.9 46.7 1.0 CD2 C:HIS313 3.0 41.7 1.0 CD2 C:HIS510 3.0 44.9 1.0 CE1 C:HIS248 3.1 44.5 1.0 CE1 C:HIS510 3.1 47.5 1.0 CD2 C:HIS248 3.1 41.4 1.0 CE1 C:HIS313 3.1 48.5 1.0 CD2 C:HIS197 3.1 42.6 1.0 ND1 C:HIS197 4.0 45.7 1.0 ND1 C:HIS510 4.1 43.5 1.0 CG C:HIS510 4.1 45.3 1.0 CG C:HIS313 4.1 44.9 1.0 ND1 C:HIS248 4.2 42.4 1.0 ND1 C:HIS313 4.2 45.4 1.0 CG C:HIS197 4.2 45.2 1.0 CG C:HIS248 4.2 44.1 1.0 CG2 C:THR151 4.5 40.0 1.0

Cobalt binding site 4 out of 4 in the 2.2A Crystal Structure of Co-CAO1


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 4 of 2.2A Crystal Structure of Co-CAO1 within 5.0Å range: probe atom residue distance (Å) B Occ D:Co601 b:42.9 occ:1.00 O D:HOH711 1.8 38.6 1.0 NE2 D:HIS313 2.0 43.3 1.0 NE2 D:HIS197 2.1 42.8 1.0 NE2 D:HIS248 2.1 42.5 1.0 NE2 D:HIS510 2.1 45.0 1.0 CE1 D:HIS197 2.9 44.4 1.0 CD2 D:HIS313 2.9 40.0 1.0 CD2 D:HIS510 3.0 43.9 1.0 CE1 D:HIS313 3.1 43.3 1.0 CE1 D:HIS248 3.1 41.2 1.0 CE1 D:HIS510 3.1 42.5 1.0 CD2 D:HIS248 3.1 43.0 1.0 CD2 D:HIS197 3.2 41.7 1.0 ND1 D:HIS197 4.1 41.5 1.0 CG D:HIS313 4.1 42.9 1.0 ND1 D:HIS313 4.1 43.3 1.0 ND1 D:HIS510 4.1 44.8 1.0 CG D:HIS510 4.2 44.1 1.0 ND1 D:HIS248 4.2 43.4 1.0 CG D:HIS248 4.2 45.6 1.0 CG D:HIS197 4.2 44.5 1.0 CG2 D:THR151 4.5 44.6 1.0

X.Sui, E.R.Farquhar, H.E.Hill, J.Von Lintig, W.Shi, P.D.Kiser. Preparation and Characterization of Metal-Substituted Carotenoid Cleavage Oxygenases. J. Biol. Inorg. Chem. V. 23 887 2018.
ISSN: ESSN 1432-1327
PubMed: 29946976
DOI: 10.1007/S00775-018-1586-0