Cobalt in PDB 3thj: Crystal Structure of the CO2+2-Hai-L-Orn Complex

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

The structure of Crystal Structure of the CO2+2-Hai-L-Orn Complex, PDB code: 3thj 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 / 1.50
Space group	P 3
Cell size a, b, c (Å), α, β, γ (°)	90.490, 90.490, 69.690, 90.00, 90.00, 120.00
R / Rfree (%)	28.6 / 30.7

The binding sites of Cobalt atom in the Crystal Structure of the CO2+2-Hai-L-Orn Complex (pdb code 3thj). 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-L-Orn Complex, PDB code: 3thj:
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-L-Orn 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-L-Orn Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Co400 b:13.9 occ:1.00 O A:HOH324 1.9 23.9 1.0 OD2 A:ASP124 1.9 15.1 1.0 OD2 A:ASP128 2.1 14.1 1.0 ND1 A:HIS101 2.2 12.6 1.0 OD2 A:ASP232 2.3 15.2 1.0 CG A:ASP124 2.9 13.6 1.0 CO A:CO401 3.1 13.6 1.0 CE1 A:HIS101 3.1 14.2 1.0 CG A:ASP128 3.1 12.2 1.0 CG A:HIS101 3.2 12.1 1.0 OD1 A:ASP124 3.2 12.9 1.0 CG A:ASP232 3.2 13.4 1.0 CB A:HIS101 3.5 13.3 1.0 OD1 A:ASP128 3.5 11.9 1.0 CB A:ASP232 3.6 13.7 1.0 O A:HOH323 4.1 19.7 1.0 NE1 A:TRP122 4.2 14.1 1.0 NE2 A:HIS101 4.2 12.0 1.0 CB A:ASP124 4.2 13.2 1.0 NE A:ORN500 4.3 11.9 1.0 CD2 A:HIS101 4.3 13.1 1.0 OD1 A:ASP232 4.4 14.3 1.0 CB A:ASP128 4.4 14.2 1.0 O A:HIS141 4.5 13.0 1.0 CZ2 A:TRP122 4.6 14.0 1.0 ND1 A:HIS126 4.7 13.3 1.0 CE2 A:TRP122 4.7 13.1 1.0 OD1 A:ASP234 4.8 13.7 1.0 OD2 A:ASP234 4.8 12.0 1.0 CB A:HIS126 4.8 14.2 1.0 O A:HIS126 4.9 12.2 1.0 CG A:GLU277 4.9 13.7 1.0 CA A:ASP232 5.0 13.3 1.0

Cobalt binding site 2 out of 4 in the Crystal Structure of the CO2+2-Hai-L-Orn 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-L-Orn Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Co401 b:13.6 occ:1.00 OD1 A:ASP124 2.0 12.9 1.0 O A:HOH324 2.0 23.9 1.0 ND1 A:HIS126 2.2 13.3 1.0 OD1 A:ASP234 2.2 13.7 1.0 OD2 A:ASP234 2.3 12.0 1.0 OD2 A:ASP232 2.3 15.2 1.0 CG A:ASP234 2.6 12.9 1.0 CG A:ASP124 2.9 13.6 1.0 CE1 A:HIS126 3.0 13.2 1.0 CO A:CO400 3.1 13.9 1.0 CG A:ASP232 3.2 13.4 1.0 OD2 A:ASP124 3.3 15.1 1.0 CG A:HIS126 3.3 13.3 1.0 O A:HOH323 3.5 19.7 1.0 CB A:HIS126 3.8 14.2 1.0 OD1 A:ASP232 3.8 14.3 1.0 N A:HIS126 3.9 11.7 1.0 N A:ALA125 4.1 11.7 1.0 CB A:ASP232 4.1 13.7 1.0 CB A:ASP234 4.1 13.2 1.0 NE2 A:HIS126 4.2 14.9 1.0 OG1 A:THR246 4.2 13.3 1.0 CB A:ASP124 4.3 13.2 1.0 CD2 A:HIS126 4.3 14.1 1.0 NE A:ORN500 4.5 11.9 1.0 CA A:HIS126 4.5 12.1 1.0 CD A:ORN500 4.5 13.2 1.0 OD2 A:ASP128 4.5 14.1 1.0 OD1 A:ASP128 4.7 11.9 1.0 CB A:ALA125 4.7 12.4 1.0 CA A:ASP124 4.7 12.9 1.0 C A:ALA125 4.7 10.9 1.0 CA A:ALA125 4.8 12.1 1.0 O A:HOH444 4.8 11.0 1.0 C A:ASP124 4.8 11.9 1.0 CA A:ASP234 5.0 11.7 1.0 C A:ASP234 5.0 11.5 1.0 CG A:ASP128 5.0 12.2 1.0

Cobalt binding site 3 out of 4 in the Crystal Structure of the CO2+2-Hai-L-Orn 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-L-Orn Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Co401 b:16.1 occ:1.00 O B:HOH323 1.9 17.2 1.0 OD1 B:ASP124 2.1 13.1 1.0 OD1 B:ASP234 2.2 17.1 1.0 ND1 B:HIS126 2.3 16.3 1.0 OD2 B:ASP232 2.3 18.5 1.0 OD2 B:ASP234 2.3 14.8 1.0 CG B:ASP234 2.6 17.4 1.0 CO B:CO400 3.0 17.2 1.0 CG B:ASP124 3.0 12.6 1.0 CE1 B:HIS126 3.0 14.2 1.0 CG B:ASP232 3.1 16.1 1.0 OD2 B:ASP124 3.3 13.6 1.0 CG B:HIS126 3.4 16.6 1.0 O B:HOH324 3.6 18.2 1.0 OD1 B:ASP232 3.7 15.1 1.0 CB B:HIS126 3.8 14.3 1.0 N B:HIS126 4.0 13.2 1.0 CB B:ASP232 4.0 15.2 1.0 CB B:ASP234 4.1 16.4 1.0 N B:ALA125 4.2 12.9 1.0 NE2 B:HIS126 4.2 15.1 1.0 OG1 B:THR246 4.3 19.6 1.0 CB B:ASP124 4.4 13.0 1.0 CD2 B:HIS126 4.4 16.0 1.0 OD2 B:ASP128 4.5 14.3 1.0 CA B:HIS126 4.5 14.7 1.0 OD1 B:ASP128 4.6 13.9 1.0 CD B:ORN500 4.6 18.8 1.0 NE B:ORN500 4.7 17.9 1.0 O B:HOH418 4.8 18.1 1.0 CB B:ALA125 4.8 12.1 1.0 CA B:ASP124 4.8 14.2 1.0 C B:ALA125 4.8 12.2 1.0 CA B:ALA125 4.9 12.4 1.0 ND1 B:HIS101 4.9 18.5 1.0 CG B:ASP128 4.9 14.9 1.0 C B:ASP124 4.9 13.3 1.0 C B:ASP234 5.0 14.2 1.0 CA B:ASP234 5.0 13.9 1.0 O B:THR246 5.0 20.1 1.0

Cobalt binding site 4 out of 4 in the Crystal Structure of the CO2+2-Hai-L-Orn 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-L-Orn Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Co400 b:17.2 occ:1.00 O B:HOH323 1.9 17.2 1.0 OD2 B:ASP124 2.0 13.6 1.0 OD2 B:ASP128 2.0 14.3 1.0 ND1 B:HIS101 2.1 18.5 1.0 OD2 B:ASP232 2.3 18.5 1.0 CG B:ASP124 3.0 12.6 1.0 CO B:CO401 3.0 16.1 1.0 CE1 B:HIS101 3.1 17.3 1.0 CG B:ASP128 3.1 14.9 1.0 CG B:HIS101 3.1 18.3 1.0 CG B:ASP232 3.3 16.1 1.0 OD1 B:ASP124 3.3 13.1 1.0 OD1 B:ASP128 3.5 13.9 1.0 CB B:HIS101 3.5 19.2 1.0 CB B:ASP232 3.6 15.2 1.0 NE2 B:HIS101 4.2 16.8 1.0 O B:HOH324 4.2 18.2 1.0 CD2 B:HIS101 4.2 19.8 1.0 NE1 B:TRP122 4.3 17.4 1.0 CB B:ASP124 4.3 13.0 1.0 NE B:ORN500 4.4 17.9 1.0 CB B:ASP128 4.4 14.6 1.0 OD1 B:ASP232 4.4 15.1 1.0 CZ2 B:TRP122 4.4 18.4 1.0 O B:HIS141 4.6 19.2 1.0 CE2 B:TRP122 4.7 18.6 1.0 OD1 B:ASP234 4.7 17.1 1.0 ND1 B:HIS126 4.7 16.3 1.0 OD2 B:ASP234 4.8 14.8 1.0 CG B:GLU277 4.9 18.5 1.0 CB B:HIS126 4.9 14.3 1.0 O B:HIS126 4.9 14.4 1.0 CA B:ASP232 5.0 15.4 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