Cobalt in PDB 3the: Crystal Structure of CO2+2-Hai (pH 8.5)

All present enzymatic activity of Crystal Structure of CO2+2-Hai (pH 8.5):
3.5.3.1;

The structure of Crystal Structure of CO2+2-Hai (pH 8.5), PDB code: 3the 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 / 1.97
Space group	P 3
Cell size a, b, c (Å), α, β, γ (°)	87.418, 87.418, 67.253, 90.00, 90.00, 120.00
R / Rfree (%)	22.7 / 26.5

The binding sites of Cobalt atom in the Crystal Structure of CO2+2-Hai (pH 8.5) (pdb code 3the). 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 CO2+2-Hai (pH 8.5), PDB code: 3the:
Jump to Cobalt binding site number: 1; 2; 3; 4;

Cobalt binding site 1 out of 4 in the Crystal Structure of CO2+2-Hai (pH 8.5)


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 CO2+2-Hai (pH 8.5) within 5.0Å range: probe atom residue distance (Å) B Occ A:Co400 b:12.3 occ:1.00 OD1 A:ASP234 2.0 10.8 1.0 O A:HOH324 2.2 18.0 1.0 OD1 A:ASP124 2.2 15.3 1.0 ND1 A:HIS126 2.3 17.4 1.0 OD2 A:ASP232 2.3 13.9 1.0 OD2 A:ASP234 2.5 12.9 1.0 CG A:ASP234 2.5 13.9 1.0 CE1 A:HIS126 3.0 18.0 1.0 CG A:ASP124 3.1 16.2 1.0 CG A:ASP232 3.2 16.9 1.0 OD2 A:ASP124 3.3 17.2 1.0 CO A:CO401 3.4 31.9 1.0 CG A:HIS126 3.5 17.7 1.0 OD1 A:ASP232 3.7 18.2 1.0 O4 A:BCN500 3.7 38.3 1.0 OG1 A:THR246 3.9 24.2 1.0 CB A:HIS126 4.0 16.5 1.0 CB A:ASP234 4.0 15.4 1.0 N A:HIS126 4.1 14.5 1.0 N A:ALA125 4.1 15.6 1.0 CB A:ASP232 4.2 15.4 1.0 O A:HOH323 4.2 26.3 1.0 NE2 A:HIS126 4.2 17.6 1.0 CB A:ASP124 4.5 15.8 1.0 CD2 A:HIS126 4.5 15.8 1.0 OD1 A:ASP128 4.5 13.0 1.0 O A:HOH329 4.5 12.2 1.0 C4 A:BCN500 4.6 32.1 1.0 CA A:HIS126 4.6 16.3 1.0 CB A:ALA125 4.7 13.6 1.0 O A:THR246 4.8 17.8 1.0 C A:ALA125 4.8 15.3 1.0 CA A:ASP124 4.8 14.7 1.0 OD2 A:ASP128 4.8 14.4 1.0 CA A:ALA125 4.8 13.1 1.0 C A:ASP124 5.0 15.2 1.0

Cobalt binding site 2 out of 4 in the Crystal Structure of CO2+2-Hai (pH 8.5)


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 CO2+2-Hai (pH 8.5) within 5.0Å range: probe atom residue distance (Å) B Occ A:Co401 b:31.9 occ:1.00 OD2 A:ASP124 2.1 17.2 1.0 OD2 A:ASP128 2.1 14.4 1.0 ND1 A:HIS101 2.3 16.7 1.0 OD2 A:ASP232 2.3 13.9 1.0 O A:HOH324 2.3 18.0 1.0 O A:HOH323 2.6 26.3 1.0 CG A:ASP128 3.0 17.9 1.0 CG A:ASP124 3.1 16.2 1.0 CG A:HIS101 3.2 16.7 1.0 CG A:ASP232 3.2 16.9 1.0 CE1 A:HIS101 3.3 18.3 1.0 OD1 A:ASP128 3.4 13.0 1.0 CO A:CO400 3.4 12.3 1.0 CB A:HIS101 3.4 17.9 1.0 CB A:ASP232 3.5 15.4 1.0 OD1 A:ASP124 3.5 15.3 1.0 O A:HIS141 4.3 21.2 1.0 NE1 A:TRP122 4.3 18.9 1.0 CD2 A:HIS101 4.4 18.4 1.0 NE2 A:HIS101 4.4 15.6 1.0 OD1 A:ASP232 4.4 18.2 1.0 CB A:ASP124 4.4 15.8 1.0 CB A:ASP128 4.4 16.8 1.0 CZ2 A:TRP122 4.5 16.9 1.0 CG A:GLU277 4.7 20.4 1.0 O4 A:BCN500 4.7 38.3 1.0 CE2 A:TRP122 4.8 18.7 1.0 OE2 A:GLU277 4.8 19.3 1.0 OD1 A:ASP234 4.8 10.8 1.0 CA A:ASP232 4.9 15.3 1.0 CA A:HIS101 4.9 19.1 1.0

Cobalt binding site 3 out of 4 in the Crystal Structure of CO2+2-Hai (pH 8.5)


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 CO2+2-Hai (pH 8.5) within 5.0Å range: probe atom residue distance (Å) B Occ B:Co400 b:12.8 occ:1.00 O B:HOH323 2.0 11.7 1.0 ND1 B:HIS126 2.1 15.4 1.0 OD1 B:ASP124 2.1 12.7 1.0 OD1 B:ASP234 2.1 18.4 1.0 OD2 B:ASP234 2.4 15.6 1.0 OD2 B:ASP232 2.4 23.5 1.0 CG B:ASP234 2.5 16.5 1.0 CE1 B:HIS126 2.8 14.7 1.0 CG B:ASP124 2.9 16.9 1.0 OD2 B:ASP124 3.1 16.9 1.0 CG B:HIS126 3.2 16.1 1.0 CG B:ASP232 3.2 24.2 1.0 CO B:CO401 3.3 43.7 1.0 O6 B:BCN500 3.7 39.1 1.0 OD1 B:ASP232 3.7 23.0 1.0 CB B:HIS126 3.7 14.2 1.0 N B:HIS126 3.9 14.6 1.0 NE2 B:HIS126 4.0 15.2 1.0 CB B:ASP234 4.0 16.4 1.0 N B:ALA125 4.1 15.6 1.0 OG1 B:THR246 4.1 16.1 1.0 CB B:ASP232 4.2 22.1 1.0 CD2 B:HIS126 4.2 14.9 1.0 CB B:ASP124 4.3 12.7 1.0 O B:HOH324 4.3 27.6 1.0 C6 B:BCN500 4.4 37.8 1.0 CA B:HIS126 4.4 14.0 1.0 OD1 B:ASP128 4.5 18.8 1.0 CB B:ALA125 4.6 13.6 1.0 C B:ALA125 4.7 15.2 1.0 CA B:ALA125 4.7 15.8 1.0 CA B:ASP124 4.7 15.8 1.0 O B:HOH325 4.7 17.9 1.0 OD2 B:ASP128 4.8 21.1 1.0 C B:ASP124 4.8 15.8 1.0 O B:THR246 4.8 18.2 1.0 CA B:ASP234 5.0 16.2 1.0 C B:ASP234 5.0 16.6 1.0

Cobalt binding site 4 out of 4 in the Crystal Structure of CO2+2-Hai (pH 8.5)


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 CO2+2-Hai (pH 8.5) within 5.0Å range: probe atom residue distance (Å) B Occ B:Co401 b:43.7 occ:1.00 OD2 B:ASP124 2.0 16.9 1.0 OD2 B:ASP128 2.1 21.1 1.0 O B:HOH323 2.2 11.7 1.0 OD2 B:ASP232 2.3 23.5 1.0 ND1 B:HIS101 2.5 12.8 1.0 O B:HOH324 2.5 27.6 1.0 CG B:ASP128 3.0 18.0 1.0 CG B:ASP124 3.1 16.9 1.0 CG B:ASP232 3.3 24.2 1.0 CO B:CO400 3.3 12.8 1.0 OD1 B:ASP128 3.3 18.8 1.0 CG B:HIS101 3.4 12.6 1.0 CB B:HIS101 3.5 14.6 1.0 CE1 B:HIS101 3.5 15.3 1.0 OD1 B:ASP124 3.6 12.7 1.0 CB B:ASP232 3.6 22.1 1.0 O B:HIS141 4.3 15.3 1.0 CB B:ASP124 4.4 12.7 1.0 OD1 B:ASP232 4.4 23.0 1.0 CB B:ASP128 4.4 15.4 1.0 CZ2 B:TRP122 4.5 16.3 1.0 NE1 B:TRP122 4.5 14.8 1.0 O6 B:BCN500 4.6 39.1 1.0 CD2 B:HIS101 4.6 12.5 1.0 NE2 B:HIS101 4.6 12.9 1.0 OE2 B:GLU277 4.7 23.9 1.0 OD1 B:ASP234 4.7 18.4 1.0 CG B:GLU277 4.7 20.1 1.0 CE2 B:TRP122 4.9 14.9 1.0 ND1 B:HIS126 4.9 15.4 1.0 OD2 B:ASP234 5.0 15.6 1.0 CA B:ASP232 5.0 20.1 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