Cobalt in PDB 3dwc: Trypanosoma Cruzi Metallocarboxypeptidase 1

All present enzymatic activity of Trypanosoma Cruzi Metallocarboxypeptidase 1:
3.4.17.19;

The structure of Trypanosoma Cruzi Metallocarboxypeptidase 1, PDB code: 3dwc was solved by G.Niemirowicz, D.Fernandez, M.Sola, J.J.Cazzulo, F.X.Aviles, F.X.Gomis-Ruth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.23 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	89.400, 136.250, 117.860, 90.00, 103.06, 90.00
R / Rfree (%)	17.9 / 22.1

The binding sites of Cobalt atom in the Trypanosoma Cruzi Metallocarboxypeptidase 1 (pdb code 3dwc). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 4 binding sites of Cobalt where determined in the Trypanosoma Cruzi Metallocarboxypeptidase 1, PDB code: 3dwc:
Jump to Cobalt binding site number: 1; 2; 3; 4;

Cobalt binding site 1 out of 4 in the Trypanosoma Cruzi Metallocarboxypeptidase 1


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Trypanosoma Cruzi Metallocarboxypeptidase 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Co999 b:44.0 occ:1.00 NE2 A:HIS265 2.2 32.0 1.0 O A:HOH1761 2.3 22.4 1.0 OE2 A:GLU296 2.3 39.0 1.0 O A:HOH2119 2.3 38.0 1.0 NE2 A:HIS269 2.4 36.3 1.0 O A:HOH1762 2.4 23.9 1.0 CD2 A:HIS265 3.1 32.5 1.0 CE1 A:HIS265 3.2 32.6 1.0 CD A:GLU296 3.2 38.5 1.0 CD2 A:HIS269 3.2 36.5 1.0 OE1 A:GLU296 3.4 43.5 1.0 CE1 A:HIS269 3.4 40.0 1.0 OG A:SER299 4.0 38.5 1.0 CB A:SER299 4.2 31.8 1.0 ND1 A:HIS265 4.3 32.8 1.0 CG A:HIS265 4.3 32.2 1.0 CG A:HIS269 4.4 35.7 1.0 ND1 A:HIS269 4.5 39.2 1.0 OE2 A:GLU266 4.5 44.7 1.0 CG A:GLU296 4.6 35.6 1.0 O A:HOH1574 4.7 32.2 1.0 O A:HOH1842 4.9 38.3 1.0 OE1 A:GLU266 5.0 48.7 1.0

Cobalt binding site 2 out of 4 in the Trypanosoma Cruzi Metallocarboxypeptidase 1


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Trypanosoma Cruzi Metallocarboxypeptidase 1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Co999 b:44.5 occ:1.00 OE2 C:GLU296 2.2 35.4 1.0 NE2 C:HIS269 2.2 30.1 1.0 NE2 C:HIS265 2.3 29.7 1.0 O C:HOH1765 2.3 22.4 1.0 O C:HOH1766 2.4 23.5 1.0 CD C:GLU296 3.1 35.3 1.0 CE1 C:HIS269 3.2 34.7 1.0 CD2 C:HIS265 3.2 30.6 1.0 CD2 C:HIS269 3.3 32.4 1.0 OE1 C:GLU296 3.3 36.2 1.0 CE1 C:HIS265 3.3 30.6 1.0 OG C:SER299 3.8 32.8 1.0 CB C:SER299 4.1 31.5 1.0 ND1 C:HIS269 4.3 32.4 1.0 CG C:HIS269 4.4 31.1 1.0 ND1 C:HIS265 4.4 28.2 1.0 CG C:HIS265 4.4 29.5 1.0 CG C:GLU296 4.5 34.1 1.0 OE2 C:GLU266 4.6 45.2 1.0 O C:HOH1302 4.8 32.4 1.0 CB C:GLU296 5.0 34.8 1.0

Cobalt binding site 3 out of 4 in the Trypanosoma Cruzi Metallocarboxypeptidase 1


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of Trypanosoma Cruzi Metallocarboxypeptidase 1 within 5.0Å range: probe atom residue distance (Å) B Occ D:Co999 b:45.4 occ:1.00 OE2 D:GLU296 2.3 35.9 1.0 O D:HOH1767 2.3 22.0 1.0 NE2 D:HIS265 2.3 35.9 1.0 NE2 D:HIS269 2.3 35.1 1.0 O D:HOH1768 2.4 21.5 1.0 O D:HOH2120 2.4 36.4 1.0 CD2 D:HIS265 3.2 36.0 1.0 CD D:GLU296 3.2 36.8 1.0 CD2 D:HIS269 3.2 36.4 1.0 CE1 D:HIS265 3.3 36.5 1.0 CE1 D:HIS269 3.4 36.1 1.0 OE1 D:GLU296 3.4 38.5 1.0 OG D:SER299 3.8 38.0 1.0 CB D:SER299 4.2 34.6 1.0 CG D:HIS265 4.4 34.6 1.0 CG D:HIS269 4.4 35.1 1.0 ND1 D:HIS265 4.4 33.7 1.0 ND1 D:HIS269 4.4 37.6 1.0 CG D:GLU296 4.6 35.7 1.0 O D:HOH1769 4.7 35.5 1.0 OE2 D:GLU266 4.7 44.7 1.0 OE1 D:GLU266 4.8 44.4 1.0 CB D:GLU296 5.0 34.5 1.0

Cobalt binding site 4 out of 4 in the Trypanosoma Cruzi Metallocarboxypeptidase 1


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 4 of Trypanosoma Cruzi Metallocarboxypeptidase 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Co999 b:40.8 occ:1.00 O B:HOH1764 1.8 20.4 1.0 O B:HOH1763 2.2 25.5 1.0 NE2 B:HIS269 2.2 37.3 1.0 OE2 B:GLU296 2.2 30.7 1.0 NE2 B:HIS265 2.2 28.4 1.0 O B:HOH2066 2.3 27.7 1.0 CD2 B:HIS265 3.1 24.1 1.0 CD B:GLU296 3.1 35.5 1.0 CE1 B:HIS269 3.1 36.2 1.0 CD2 B:HIS269 3.2 38.1 1.0 CE1 B:HIS265 3.3 29.2 1.0 OE1 B:GLU296 3.4 40.4 1.0 OG B:SER299 3.7 31.5 1.0 CB B:SER299 4.0 28.8 1.0 ND1 B:HIS269 4.3 37.6 1.0 CG B:HIS265 4.3 26.3 1.0 CG B:HIS269 4.3 34.4 1.0 ND1 B:HIS265 4.3 27.2 1.0 CG B:GLU296 4.5 33.3 1.0 OE2 B:GLU266 4.6 45.8 1.0 O B:HOH1915 4.7 32.8 1.0 CB B:GLU296 4.9 32.2 1.0 CA B:GLU296 5.0 31.2 1.0

G.Niemirowicz, D.Fernandez, M.Sola, J.J.Cazzulo, F.X.Aviles, F.X.Gomis-Ruth. The Molecular Analysis of Trypanosoma Cruzi Metallocarboxypeptidase 1 Provides Insight Into Fold and Substrate Specificity Mol.Microbiol. V. 70 853 2008.
ISSN: ISSN 0950-382X
PubMed: 18793339
DOI: 10.1111/J.1365-2958.2008.06444.X