Cobalt in PDB 6big: Crystal Structure of Cobalt-Substituted Synechocystis Aco

All present enzymatic activity of Crystal Structure of Cobalt-Substituted Synechocystis Aco:
1.13.11.75;

The structure of Crystal Structure of Cobalt-Substituted Synechocystis Aco, PDB code: 6big was solved by X.Sui, W.Shi, P.D.Kiser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.39 / 2.21
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	118.074, 124.531, 202.608, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 22.9

The structure of Crystal Structure of Cobalt-Substituted Synechocystis Aco also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

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

Cobalt binding site 1 out of 4 in the Crystal Structure of Cobalt-Substituted Synechocystis Aco


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Crystal Structure of Cobalt-Substituted Synechocystis Aco within 5.0Å range: probe atom residue distance (Å) B Occ A:Co501 b:35.0 occ:1.00 O A:HOH617 1.6 38.1 1.0 NE2 A:HIS183 2.1 37.4 1.0 NE2 A:HIS304 2.2 34.1 1.0 NE2 A:HIS484 2.2 34.2 1.0 NE2 A:HIS238 2.2 37.3 1.0 CE1 A:HIS183 2.9 38.0 1.0 CD2 A:HIS484 3.0 32.8 1.0 CD2 A:HIS304 3.0 34.5 1.0 CD2 A:HIS238 3.1 38.0 1.0 CE1 A:HIS484 3.1 34.1 1.0 CE1 A:HIS304 3.2 33.9 1.0 CD2 A:HIS183 3.2 38.5 1.0 CE1 A:HIS238 3.2 37.4 1.0 ND1 A:HIS183 4.1 37.9 1.0 CG A:HIS484 4.1 34.0 1.0 ND1 A:HIS484 4.2 34.3 1.0 CG A:HIS304 4.2 35.2 1.0 ND1 A:HIS304 4.3 35.3 1.0 CG A:HIS183 4.3 37.9 1.0 CG A:HIS238 4.3 38.6 1.0 ND1 A:HIS238 4.3 38.5 1.0 CG2 A:THR136 4.6 30.9 1.0 O A:HOH771 4.8 57.8 1.0

Cobalt binding site 2 out of 4 in the Crystal Structure of Cobalt-Substituted Synechocystis Aco


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Crystal Structure of Cobalt-Substituted Synechocystis Aco within 5.0Å range: probe atom residue distance (Å) B Occ B:Co501 b:34.8 occ:1.00 O B:HOH714 2.1 37.0 1.0 NE2 B:HIS183 2.1 36.5 1.0 NE2 B:HIS304 2.2 36.6 1.0 NE2 B:HIS238 2.2 33.1 1.0 NE2 B:HIS484 2.2 34.5 1.0 CE1 B:HIS183 2.9 38.5 1.0 CD2 B:HIS484 3.1 33.2 1.0 CD2 B:HIS238 3.1 34.2 1.0 CD2 B:HIS304 3.1 37.2 1.0 CE1 B:HIS304 3.2 36.6 1.0 CE1 B:HIS238 3.2 33.4 1.0 CE1 B:HIS484 3.2 34.7 1.0 CD2 B:HIS183 3.3 37.3 1.0 ND1 B:HIS183 4.1 38.4 1.0 CG B:HIS484 4.2 34.2 1.0 ND1 B:HIS484 4.2 34.4 1.0 CG B:HIS238 4.2 35.3 1.0 ND1 B:HIS238 4.2 34.5 1.0 CG B:HIS304 4.3 38.5 1.0 ND1 B:HIS304 4.3 38.0 1.0 CG B:HIS183 4.3 36.9 1.0 CG2 B:THR136 4.6 32.0 1.0

Cobalt binding site 3 out of 4 in the Crystal Structure of Cobalt-Substituted Synechocystis Aco


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of Crystal Structure of Cobalt-Substituted Synechocystis Aco within 5.0Å range: probe atom residue distance (Å) B Occ C:Co501 b:39.4 occ:1.00 O C:HOH682 2.0 40.7 1.0 NE2 C:HIS304 2.2 39.9 1.0 NE2 C:HIS183 2.2 39.1 1.0 NE2 C:HIS238 2.2 39.5 1.0 NE2 C:HIS484 2.2 37.5 1.0 CE1 C:HIS183 3.0 39.5 1.0 CD2 C:HIS484 3.1 37.6 1.0 CD2 C:HIS304 3.1 41.0 1.0 CD2 C:HIS238 3.1 39.5 1.0 CE1 C:HIS304 3.2 39.0 1.0 CE1 C:HIS238 3.2 39.2 1.0 CE1 C:HIS484 3.2 37.7 1.0 CD2 C:HIS183 3.3 40.3 1.0 ND1 C:HIS183 4.2 39.7 1.0 CG C:HIS484 4.2 38.2 1.0 ND1 C:HIS484 4.2 38.0 1.0 ND1 C:HIS304 4.3 39.5 1.0 CG C:HIS304 4.3 40.4 1.0 ND1 C:HIS238 4.3 40.1 1.0 CG C:HIS238 4.3 40.3 1.0 CG C:HIS183 4.4 40.6 1.0 CG2 C:THR136 4.5 36.8 1.0

Cobalt binding site 4 out of 4 in the Crystal Structure of Cobalt-Substituted Synechocystis Aco


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 4 of Crystal Structure of Cobalt-Substituted Synechocystis Aco within 5.0Å range: probe atom residue distance (Å) B Occ D:Co501 b:40.8 occ:1.00 O D:HOH702 2.1 41.9 1.0 NE2 D:HIS183 2.1 46.0 1.0 NE2 D:HIS304 2.2 41.6 1.0 NE2 D:HIS238 2.2 41.1 1.0 NE2 D:HIS484 2.3 41.2 1.0 CE1 D:HIS183 3.0 46.9 1.0 CD2 D:HIS238 3.1 41.2 1.0 CD2 D:HIS484 3.1 41.5 1.0 CD2 D:HIS304 3.1 42.6 1.0 CE1 D:HIS238 3.2 41.3 1.0 CE1 D:HIS304 3.2 41.4 1.0 CE1 D:HIS484 3.2 42.1 1.0 CD2 D:HIS183 3.3 46.6 1.0 ND1 D:HIS183 4.1 48.1 1.0 CG D:HIS484 4.2 42.7 1.0 CG D:HIS238 4.2 42.0 1.0 ND1 D:HIS238 4.2 42.1 1.0 ND1 D:HIS484 4.2 43.1 1.0 CG D:HIS304 4.3 42.9 1.0 ND1 D:HIS304 4.3 42.2 1.0 CG D:HIS183 4.3 48.2 1.0 CG2 D:THR136 4.6 40.7 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