Cobalt in PDB 3thh: Crystal Structure of the CO2+2-Hai-Abh Complex

All present enzymatic activity of Crystal Structure of the CO2+2-Hai-Abh Complex:
3.5.3.1;

The structure of Crystal Structure of the CO2+2-Hai-Abh Complex, PDB code: 3thh was solved by E.L.D'antonio, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.85
Space group	P 3
Cell size a, b, c (Å), α, β, γ (°)	90.428, 90.428, 69.431, 90.00, 90.00, 120.00
R / Rfree (%)	23.9 / 28.1

The binding sites of Cobalt atom in the Crystal Structure of the CO2+2-Hai-Abh Complex (pdb code 3thh). 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 the CO2+2-Hai-Abh Complex, PDB code: 3thh:
Jump to Cobalt binding site number: 1; 2; 3; 4;

Cobalt binding site 1 out of 4 in the Crystal Structure of the CO2+2-Hai-Abh Complex


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 the CO2+2-Hai-Abh Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Co400 b:16.8 occ:1.00 OD2 A:ASP124 1.9 21.1 1.0 ND1 A:HIS101 2.1 19.7 1.0 OD2 A:ASP128 2.1 17.5 1.0 OD2 A:ASP232 2.1 15.0 1.0 O1 A:ABH700 2.2 18.4 1.0 O2 A:ABH700 2.3 20.1 1.0 B A:ABH700 2.8 18.8 1.0 CG A:ASP124 3.0 20.6 1.0 CE1 A:HIS101 3.0 21.1 1.0 CG A:HIS101 3.1 18.4 1.0 CG A:ASP128 3.1 16.2 1.0 CG A:ASP232 3.1 19.4 1.0 CO A:CO401 3.2 18.0 1.0 OD1 A:ASP124 3.4 18.8 1.0 CB A:HIS101 3.5 16.5 1.0 OD1 A:ASP128 3.5 14.5 1.0 CB A:ASP232 3.5 18.7 1.0 O3 A:ABH700 3.5 18.5 1.0 CE A:ABH700 4.1 17.2 1.0 NE2 A:HIS101 4.1 19.1 1.0 CD2 A:HIS101 4.2 19.1 1.0 OD1 A:ASP232 4.2 16.8 1.0 CB A:ASP124 4.3 19.5 1.0 O A:HIS141 4.3 17.1 1.0 NE1 A:TRP122 4.3 20.1 1.0 CB A:ASP128 4.4 18.1 1.0 CZ2 A:TRP122 4.5 20.4 1.0 CE2 A:TRP122 4.8 19.3 1.0 OD1 A:ASP234 4.8 18.3 1.0 CG A:GLU277 4.8 19.0 1.0 ND1 A:HIS126 4.9 11.8 1.0 CA A:ASP232 4.9 18.9 1.0 OD2 A:ASP234 4.9 16.1 1.0 CA A:HIS101 5.0 16.2 1.0

Cobalt binding site 2 out of 4 in the Crystal Structure of the CO2+2-Hai-Abh Complex


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 the CO2+2-Hai-Abh Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Co401 b:18.0 occ:1.00 OD1 A:ASP124 1.9 18.8 1.0 ND1 A:HIS126 2.2 11.8 1.0 OD1 A:ASP234 2.2 18.3 1.0 O1 A:ABH700 2.2 18.4 1.0 OD2 A:ASP234 2.3 16.1 1.0 OD2 A:ASP232 2.3 15.0 1.0 CG A:ASP234 2.6 16.8 1.0 CG A:ASP124 2.8 20.6 1.0 CE1 A:HIS126 3.0 12.9 1.0 O3 A:ABH700 3.0 18.5 1.0 OD2 A:ASP124 3.1 21.1 1.0 B A:ABH700 3.1 18.8 1.0 CG A:ASP232 3.2 19.4 1.0 CO A:CO400 3.2 16.8 1.0 CG A:HIS126 3.3 14.1 1.0 CB A:HIS126 3.8 15.8 1.0 OD1 A:ASP232 3.8 16.8 1.0 N A:HIS126 3.9 14.1 1.0 O2 A:ABH700 4.0 20.1 1.0 N A:ALA125 4.0 15.1 1.0 CB A:ASP234 4.1 15.7 1.0 CB A:ASP232 4.1 18.7 1.0 NE2 A:HIS126 4.2 13.3 1.0 CB A:ASP124 4.2 19.5 1.0 CD2 A:HIS126 4.3 12.2 1.0 CE A:ABH700 4.3 17.2 1.0 CD A:ABH700 4.4 16.9 1.0 CA A:HIS126 4.5 14.6 1.0 OD1 A:ASP128 4.5 14.5 1.0 OD2 A:ASP128 4.5 17.5 1.0 O A:HOH330 4.6 11.9 1.0 CB A:ALA125 4.7 14.6 1.0 CA A:ASP124 4.7 17.8 1.0 C A:ALA125 4.7 13.3 1.0 CA A:ALA125 4.7 14.2 1.0 C A:ASP124 4.8 16.2 1.0 CG A:ASP128 4.9 16.2 1.0 CA A:ASP234 5.0 14.0 1.0

Cobalt binding site 3 out of 4 in the Crystal Structure of the CO2+2-Hai-Abh Complex


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 the CO2+2-Hai-Abh Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Co400 b:24.8 occ:1.00 OD2 B:ASP124 2.0 17.7 1.0 OD2 B:ASP128 2.1 19.3 1.0 O1 B:ABH700 2.1 23.5 1.0 OD2 B:ASP232 2.2 16.7 1.0 O2 B:ABH700 2.2 23.1 1.0 ND1 B:HIS101 2.3 26.3 1.0 B B:ABH700 2.6 23.8 1.0 CG B:ASP128 3.1 20.2 1.0 CG B:ASP124 3.1 15.7 1.0 CO B:CO401 3.2 18.9 1.0 CG B:ASP232 3.2 21.0 1.0 CE1 B:HIS101 3.2 26.1 1.0 CG B:HIS101 3.3 25.1 1.0 O3 B:ABH700 3.4 24.7 1.0 OD1 B:ASP128 3.5 18.1 1.0 CB B:ASP232 3.5 21.2 1.0 CB B:HIS101 3.6 26.4 1.0 OD1 B:ASP124 3.6 16.9 1.0 CE B:ABH700 4.0 24.3 1.0 OD1 B:ASP232 4.3 21.0 1.0 O B:HIS141 4.3 24.7 1.0 NE2 B:HIS101 4.3 24.1 1.0 NE1 B:TRP122 4.3 17.7 1.0 CB B:ASP124 4.4 16.0 1.0 CD2 B:HIS101 4.4 25.9 1.0 CB B:ASP128 4.4 19.1 1.0 CZ2 B:TRP122 4.5 19.5 1.0 CG B:GLU277 4.6 29.0 1.0 OD1 B:ASP234 4.7 20.2 1.0 CE2 B:TRP122 4.8 21.1 1.0 CA B:ASP232 4.8 21.4 1.0 OE2 B:GLU277 4.9 32.3 1.0 ND1 B:HIS126 4.9 18.2 1.0 OD2 B:ASP234 4.9 18.9 1.0 CD B:ABH700 5.0 23.8 1.0

Cobalt binding site 4 out of 4 in the Crystal Structure of the CO2+2-Hai-Abh Complex


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 the CO2+2-Hai-Abh Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Co401 b:18.9 occ:1.00 OD1 B:ASP234 2.0 20.2 1.0 O1 B:ABH700 2.1 23.5 1.0 OD1 B:ASP124 2.2 16.9 1.0 ND1 B:HIS126 2.2 18.2 1.0 OD2 B:ASP232 2.3 16.7 1.0 OD2 B:ASP234 2.4 18.9 1.0 CG B:ASP234 2.5 23.3 1.0 CG B:ASP124 2.9 15.7 1.0 CE1 B:HIS126 2.9 19.1 1.0 CG B:ASP232 3.0 21.0 1.0 OD2 B:ASP124 3.1 17.7 1.0 B B:ABH700 3.1 23.8 1.0 CO B:CO400 3.2 24.8 1.0 O3 B:ABH700 3.2 24.7 1.0 CG B:HIS126 3.4 20.1 1.0 OD1 B:ASP232 3.5 21.0 1.0 CB B:HIS126 3.9 19.1 1.0 CB B:ASP232 4.0 21.2 1.0 CB B:ASP234 4.0 20.3 1.0 O2 B:ABH700 4.0 23.1 1.0 N B:HIS126 4.0 17.0 1.0 N B:ALA125 4.1 15.3 1.0 NE2 B:HIS126 4.2 19.1 1.0 CD B:ABH700 4.3 23.8 1.0 CE B:ABH700 4.3 24.3 1.0 CB B:ASP124 4.3 16.0 1.0 CD2 B:HIS126 4.4 20.2 1.0 OD1 B:ASP128 4.4 18.1 1.0 OD2 B:ASP128 4.5 19.3 1.0 CA B:HIS126 4.5 18.6 1.0 CA B:ASP124 4.8 15.8 1.0 CB B:ALA125 4.8 12.8 1.0 C B:ALA125 4.8 15.2 1.0 CA B:ALA125 4.9 14.8 1.0 CG B:ASP128 4.9 20.2 1.0 C B:ASP124 4.9 16.4 1.0 CA B:ASP234 4.9 19.0 1.0 O B:HOH345 5.0 34.7 1.0

E.L.D'antonio, D.W.Christianson. Crystal Structures of Complexes with Cobalt-Reconstituted Human Arginase I. Biochemistry V. 50 8018 2011.
ISSN: ISSN 0006-2960
PubMed: 21870783
DOI: 10.1021/BI201101T