Cobalt in PDB 3th7: Crystal Structure of Unliganded CO2+2-Hai (pH 7.0)

All present enzymatic activity of Crystal Structure of Unliganded CO2+2-Hai (pH 7.0):
3.5.3.1;

The structure of Crystal Structure of Unliganded CO2+2-Hai (pH 7.0), PDB code: 3th7 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 / 2.10
Space group	P 3
Cell size a, b, c (Å), α, β, γ (°)	90.406, 90.406, 69.741, 90.00, 90.00, 120.00
R / Rfree (%)	28.2 / 32.9

The binding sites of Cobalt atom in the Crystal Structure of Unliganded CO2+2-Hai (pH 7.0) (pdb code 3th7). 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 Unliganded CO2+2-Hai (pH 7.0), PDB code: 3th7:
Jump to Cobalt binding site number: 1; 2; 3; 4;

Cobalt binding site 1 out of 4 in the Crystal Structure of Unliganded CO2+2-Hai (pH 7.0)


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 Unliganded CO2+2-Hai (pH 7.0) within 5.0Å range: probe atom residue distance (Å) B Occ A:Co400 b:17.7 occ:1.00 OD1 A:ASP124 1.9 14.0 1.0 OD2 A:ASP232 2.0 19.6 1.0 OD1 A:ASP234 2.1 11.9 1.0 ND1 A:HIS126 2.2 18.3 1.0 OD2 A:ASP234 2.3 10.0 1.0 CG A:ASP234 2.5 10.2 1.0 CG A:ASP124 2.8 18.0 1.0 CE1 A:HIS126 3.0 18.4 1.0 CG A:ASP232 3.1 19.9 1.0 OD2 A:ASP124 3.1 14.0 1.0 CO A:CO401 3.2 18.3 1.0 CG A:HIS126 3.4 18.9 1.0 N A:HIS126 3.7 15.5 1.0 N A:ALA125 3.7 13.4 1.0 OD1 A:ASP232 3.8 21.7 1.0 CB A:HIS126 3.9 18.4 1.0 CB A:ASP234 4.0 9.1 1.0 CB A:ASP232 4.1 18.3 1.0 NE2 A:HIS126 4.2 18.0 1.0 CB A:ASP124 4.2 15.5 1.0 OG1 A:THR246 4.2 11.6 1.0 O A:HOH333 4.2 16.4 1.0 CB A:ALA125 4.3 14.2 1.0 CD2 A:HIS126 4.4 18.0 1.0 CA A:HIS126 4.4 17.9 1.0 CA A:ALA125 4.4 13.8 1.0 C A:ALA125 4.5 13.6 1.0 OD2 A:ASP128 4.5 15.1 1.0 OD1 A:ASP128 4.6 8.7 1.0 CA A:ASP124 4.6 15.6 1.0 C A:ASP124 4.6 15.1 1.0 O A:HIS126 4.8 18.2 1.0 O A:HOH375 4.9 14.2 1.0 CA A:ASP234 4.9 10.6 1.0 C A:ASP234 4.9 10.2 1.0 CG A:ASP128 5.0 11.1 1.0 O A:THR246 5.0 15.8 1.0

Cobalt binding site 2 out of 4 in the Crystal Structure of Unliganded CO2+2-Hai (pH 7.0)


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 Unliganded CO2+2-Hai (pH 7.0) within 5.0Å range: probe atom residue distance (Å) B Occ A:Co401 b:18.3 occ:1.00 OD2 A:ASP124 1.9 14.0 1.0 OD2 A:ASP128 2.1 15.1 1.0 ND1 A:HIS101 2.2 15.5 1.0 OD2 A:ASP232 2.3 19.6 1.0 O A:HOH333 2.4 16.4 1.0 CG A:ASP124 2.9 18.0 1.0 CG A:ASP128 3.1 11.1 1.0 CO A:CO400 3.2 17.7 1.0 CE1 A:HIS101 3.2 16.7 1.0 CG A:ASP232 3.2 19.9 1.0 CG A:HIS101 3.2 14.2 1.0 OD1 A:ASP124 3.3 14.0 1.0 OD1 A:ASP128 3.5 8.7 1.0 CB A:HIS101 3.5 16.2 1.0 CB A:ASP232 3.6 18.3 1.0 O A:HIS141 4.2 17.1 1.0 OD1 A:ASP232 4.2 21.7 1.0 CB A:ASP124 4.2 15.5 1.0 NE2 A:HIS101 4.3 14.8 1.0 CD2 A:HIS101 4.4 15.6 1.0 NE1 A:TRP122 4.4 17.0 1.0 CB A:ASP128 4.5 13.9 1.0 CZ2 A:TRP122 4.6 14.1 1.0 OD1 A:ASP234 4.6 11.9 1.0 OE2 A:GLU277 4.7 17.1 1.0 ND1 A:HIS126 4.8 18.3 1.0 O A:HIS126 4.8 18.2 1.0 CG A:GLU277 4.8 15.3 1.0 OD2 A:ASP234 4.8 10.0 1.0 CE2 A:TRP122 4.8 15.9 1.0 CA A:ASP232 4.9 16.8 1.0

Cobalt binding site 3 out of 4 in the Crystal Structure of Unliganded CO2+2-Hai (pH 7.0)


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 Unliganded CO2+2-Hai (pH 7.0) within 5.0Å range: probe atom residue distance (Å) B Occ B:Co400 b:22.7 occ:1.00 OD2 B:ASP128 2.0 20.3 1.0 OD2 B:ASP124 2.2 14.1 1.0 ND1 B:HIS101 2.2 17.8 1.0 OD2 B:ASP232 2.3 20.3 1.0 CG B:ASP128 3.0 20.2 1.0 CG B:HIS101 3.1 17.2 1.0 CO B:CO401 3.2 21.0 1.0 CE1 B:HIS101 3.2 15.9 1.0 CG B:ASP232 3.3 20.7 1.0 CB B:HIS101 3.3 19.0 1.0 CG B:ASP124 3.3 13.7 1.0 OD1 B:ASP128 3.4 19.0 1.0 CB B:ASP232 3.6 18.7 1.0 OD1 B:ASP124 3.8 14.3 1.0 O B:HIS141 4.2 23.4 1.0 CD2 B:HIS101 4.3 17.5 1.0 NE2 B:HIS101 4.3 15.0 1.0 CB B:ASP128 4.4 19.3 1.0 OD1 B:ASP232 4.4 18.5 1.0 CB B:ASP124 4.5 14.0 1.0 NE1 B:TRP122 4.5 12.0 1.0 OD1 B:ASP234 4.6 20.3 1.0 CG B:GLU277 4.7 29.1 1.0 CZ2 B:TRP122 4.7 10.0 1.0 ND1 B:HIS126 4.7 18.8 1.0 CA B:HIS101 4.8 20.7 1.0 OE2 B:GLU277 4.9 30.2 1.0 CA B:ASP232 4.9 18.1 1.0 OD2 B:ASP234 4.9 15.3 1.0 CE2 B:TRP122 4.9 13.1 1.0

Cobalt binding site 4 out of 4 in the Crystal Structure of Unliganded CO2+2-Hai (pH 7.0)


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 Unliganded CO2+2-Hai (pH 7.0) within 5.0Å range: probe atom residue distance (Å) B Occ B:Co401 b:21.0 occ:1.00 OD1 B:ASP234 2.0 20.3 1.0 ND1 B:HIS126 2.2 18.8 1.0 OD2 B:ASP232 2.2 20.3 1.0 OD1 B:ASP124 2.2 14.3 1.0 OD2 B:ASP234 2.3 15.3 1.0 CG B:ASP234 2.5 21.5 1.0 CG B:ASP124 2.9 13.7 1.0 CE1 B:HIS126 2.9 18.9 1.0 OD2 B:ASP124 3.0 14.1 1.0 CG B:ASP232 3.0 20.7 1.0 CO B:CO400 3.2 22.7 1.0 CG B:HIS126 3.3 20.7 1.0 OD1 B:ASP232 3.6 18.5 1.0 CB B:HIS126 3.8 18.6 1.0 CB B:ASP232 3.9 18.7 1.0 CB B:ASP234 4.0 19.3 1.0 N B:HIS126 4.0 19.3 1.0 NE2 B:HIS126 4.1 19.6 1.0 N B:ALA125 4.2 16.0 1.0 OG1 B:THR246 4.2 27.7 1.0 CD2 B:HIS126 4.3 19.4 1.0 CB B:ASP124 4.3 14.0 1.0 OD1 B:ASP128 4.4 19.0 1.0 OD2 B:ASP128 4.4 20.3 1.0 CA B:HIS126 4.5 19.6 1.0 CB B:ALA125 4.7 14.6 1.0 C B:ALA125 4.8 17.4 1.0 CA B:ALA125 4.8 17.1 1.0 CG B:ASP128 4.8 20.2 1.0 CA B:ASP124 4.8 15.1 1.0 C B:ASP234 4.8 16.3 1.0 O B:ASP234 4.8 17.1 1.0 CA B:ASP234 4.9 17.7 1.0 C B:ASP124 4.9 16.2 1.0 O B:THR246 4.9 27.4 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