Calcium in PDB 6sn6: Carboxypeptidase T with N-Sulfamoyl-L-Glutamic Acid

All present enzymatic activity of Carboxypeptidase T with N-Sulfamoyl-L-Glutamic Acid:
3.4.17.18;

The structure of Carboxypeptidase T with N-Sulfamoyl-L-Glutamic Acid, PDB code: 6sn6 was solved by V.I.Timofeev, V.K.Akparov, I.P.Kuranova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.93 / 1.93
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	158.730, 158.730, 105.670, 90.00, 90.00, 120.00
R / Rfree (%)	11.2 / 14.5

The structure of Carboxypeptidase T with N-Sulfamoyl-L-Glutamic Acid also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Calcium atom in the Carboxypeptidase T with N-Sulfamoyl-L-Glutamic Acid (pdb code 6sn6). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Carboxypeptidase T with N-Sulfamoyl-L-Glutamic Acid, PDB code: 6sn6:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Carboxypeptidase T with N-Sulfamoyl-L-Glutamic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Carboxypeptidase T with N-Sulfamoyl-L-Glutamic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:19.4 occ:1.00 O A:HOH657 2.3 25.7 1.0 O A:SER7 2.4 19.8 1.0 O A:TYR9 2.4 15.4 1.0 O A:HOH673 2.4 20.2 1.0 O A:HOH752 2.4 23.0 1.0 OE1 A:GLU14 2.5 16.5 1.0 OE2 A:GLU14 2.6 18.6 1.0 CD A:GLU14 2.9 18.4 1.0 C A:SER7 3.5 18.6 1.0 C A:TYR9 3.6 17.2 1.0 O A:HOH556 4.2 25.9 1.0 CA A:SER7 4.2 18.7 1.0 N A:TYR9 4.3 13.8 1.0 CA A:HIS10 4.3 14.2 1.0 C A:GLY8 4.4 15.9 1.0 CG A:GLU14 4.4 18.9 1.0 N A:HIS10 4.4 13.6 1.0 N A:GLY8 4.5 17.4 1.0 CA A:TYR9 4.6 15.0 1.0 O A:HOH784 4.6 37.2 1.0 O A:GLY8 4.6 14.8 1.0 N A:ASN11 4.7 15.0 1.0 O A:HOH581 4.7 22.3 1.0 CA A:GLY8 4.7 17.7 1.0 CB A:SER7 4.7 21.4 1.0 O A:HOH667 4.8 39.4 1.0 CB A:GLU14 4.9 16.5 1.0 OD1 A:ASP1 4.9 23.1 1.0 C A:HIS10 5.0 15.3 1.0

Calcium binding site 2 out of 3 in the Carboxypeptidase T with N-Sulfamoyl-L-Glutamic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Carboxypeptidase T with N-Sulfamoyl-L-Glutamic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:23.5 occ:1.00 OD1 A:ASP51 2.3 27.0 1.0 O A:ASP51 2.3 19.5 1.0 OG A:SER50 2.4 18.0 1.0 O A:HOH592 2.4 20.1 1.0 OE1 A:GLU57 2.4 25.2 1.0 OE1 A:GLU59 2.4 24.9 1.0 OE2 A:GLU59 2.8 35.8 1.0 CD A:GLU59 2.9 26.2 1.0 C A:ASP51 3.4 20.2 1.0 CB A:SER50 3.5 17.4 1.0 CG A:ASP51 3.5 24.5 1.0 CD A:GLU57 3.6 31.2 1.0 N A:ASP51 3.7 17.5 1.0 O A:HOH502 3.9 12.0 1.0 CA A:ASP51 3.9 21.4 1.0 CG A:GLU57 4.2 24.7 1.0 C A:SER50 4.2 17.8 1.0 CB A:ASP51 4.3 24.6 1.0 CG A:GLU104 4.3 20.3 1.0 CA A:SER50 4.3 16.0 1.0 CB A:GLU57 4.3 21.5 1.0 OE2 A:GLU104 4.4 22.4 1.0 OD2 A:ASP51 4.4 27.8 1.0 CG A:GLU59 4.4 29.3 1.0 N A:ASN52 4.4 20.1 1.0 O A:ASN52 4.5 20.9 1.0 OE2 A:GLU57 4.5 37.4 1.0 O A:ARG103 4.5 16.9 1.0 CB A:ASN52 4.5 24.7 1.0 O A:VAL100 4.6 18.3 1.0 C A:ASN52 4.7 21.6 1.0 OD1 A:ASN52 4.7 41.4 1.0 CD A:GLU104 4.7 23.2 1.0 CA A:ASN52 4.8 24.3 1.0 O A:ASN101 4.8 20.9 1.0 O A:SER50 4.9 18.6 1.0

Calcium binding site 3 out of 3 in the Carboxypeptidase T with N-Sulfamoyl-L-Glutamic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Carboxypeptidase T with N-Sulfamoyl-L-Glutamic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca405 b:25.2 occ:1.00 O A:HOH519 2.3 22.6 1.0 OD2 A:ASP56 2.3 24.5 1.0 O A:GLU57 2.4 23.9 1.0 OE1 A:GLU104 2.4 24.1 1.0 O A:HOH650 2.4 21.5 1.0 OE2 A:GLU61 2.5 19.4 1.0 CG A:ASP56 3.4 30.2 1.0 CD A:GLU104 3.4 23.2 1.0 CD A:GLU61 3.6 20.2 1.0 C A:GLU57 3.6 22.7 1.0 OD1 A:ASP56 3.8 28.3 1.0 NH2 A:ARG189 3.8 25.1 1.0 O A:HOH514 3.9 34.5 1.0 OE2 A:GLU104 3.9 22.4 1.0 O A:GLU59 3.9 20.1 1.0 N A:GLU57 4.0 24.3 1.0 CG A:GLU61 4.0 21.8 1.0 N A:GLU59 4.3 24.7 1.0 C A:ASP56 4.3 26.2 1.0 CA A:GLU57 4.5 22.2 1.0 N A:ASN58 4.5 25.7 1.0 OE1 A:GLN196 4.6 20.7 1.0 CA A:ASP56 4.6 24.9 1.0 OE1 A:GLU61 4.6 19.0 1.0 CB A:ASP56 4.6 28.1 1.0 CA A:ASN58 4.6 32.5 1.0 CG A:GLU104 4.7 20.3 1.0 CG A:GLN196 4.8 19.6 1.0 CB A:GLN196 4.8 15.3 1.0 C A:GLU59 4.9 20.0 1.0 CB A:GLU104 5.0 18.0 1.0 C A:ASN58 5.0 30.5 1.0

V.I.Timofeev, V.K.Akparov, I.P.Kuranova. Carboxypeptidase T with N-Sulfamoyl-L-Glutamic Acid To Be Published.