Calcium in PDB 6go2: Carboxypeptidase T with N-Sulfamoyl-L-Leucine

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

The structure of Carboxypeptidase T with N-Sulfamoyl-L-Leucine, PDB code: 6go2 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)	29.82 / 1.90
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	157.810, 157.810, 104.800, 90.00, 90.00, 120.00
R / Rfree (%)	14.1 / 16.3

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

Zinc

(Zn)

1 atom

The binding sites of Calcium atom in the Carboxypeptidase T with N-Sulfamoyl-L-Leucine (pdb code 6go2). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Carboxypeptidase T with N-Sulfamoyl-L-Leucine, PDB code: 6go2:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Carboxypeptidase T with N-Sulfamoyl-L-Leucine


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-Leucine within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:26.3 occ:1.00 O A:HOH633 2.3 30.1 1.0 O A:TYR9 2.4 12.9 1.0 O A:SER7 2.4 16.2 1.0 O A:HOH617 2.4 23.2 1.0 O A:HOH711 2.5 25.2 1.0 OE1 A:GLU14 2.6 16.3 1.0 OE2 A:GLU14 2.8 18.2 1.0 CD A:GLU14 3.0 17.7 1.0 C A:SER7 3.5 16.0 1.0 C A:TYR9 3.6 10.9 1.0 CA A:SER7 4.2 16.9 1.0 O A:HOH512 4.2 28.5 1.0 CA A:HIS10 4.3 11.0 1.0 N A:TYR9 4.4 10.6 1.0 C A:GLY8 4.4 12.6 1.0 N A:HIS10 4.4 11.0 1.0 CG A:GLU14 4.4 16.1 1.0 N A:GLY8 4.5 14.9 1.0 CA A:TYR9 4.6 10.4 1.0 N A:ASN11 4.6 12.4 1.0 O A:GLY8 4.7 12.3 1.0 O A:HOH571 4.7 25.9 1.0 CB A:SER7 4.7 19.0 1.0 CA A:GLY8 4.7 14.3 1.0 O A:HOH731 4.9 36.4 1.0 OD1 A:ASP1 5.0 19.9 1.0 C A:HIS10 5.0 11.8 1.0 CB A:GLU14 5.0 14.2 1.0

Calcium binding site 2 out of 4 in the Carboxypeptidase T with N-Sulfamoyl-L-Leucine


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-Leucine within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:26.4 occ:1.00 OE2 A:GLU57 2.3 26.8 1.0 OD1 A:ASP51 2.4 30.4 1.0 O A:ASP51 2.4 19.6 1.0 OG A:SER50 2.4 17.0 1.0 O A:HOH563 2.4 23.0 1.0 OE1 A:GLU59 2.5 25.8 1.0 CD A:GLU59 3.3 26.8 1.0 C A:ASP51 3.4 19.0 1.0 CB A:SER50 3.5 15.8 1.0 CD A:GLU57 3.5 27.9 1.0 OE2 A:GLU59 3.5 34.5 1.0 CG A:ASP51 3.5 26.1 1.0 N A:ASP51 3.8 17.2 1.0 O A:HOH502 3.8 25.6 1.0 CA A:ASP51 4.0 19.1 1.0 CG A:GLU57 4.1 27.1 1.0 C A:SER50 4.2 15.0 1.0 CG A:GLU104 4.3 18.6 1.0 CA A:SER50 4.4 13.7 1.0 CB A:ASP51 4.4 24.0 1.0 OD2 A:ASP51 4.4 32.9 1.0 OE2 A:GLU104 4.4 23.3 1.0 O A:ASN52 4.4 20.4 1.0 O A:ARG103 4.4 14.0 1.0 CB A:GLU57 4.4 25.3 1.0 N A:ASN52 4.5 20.8 1.0 CB A:ASN52 4.5 24.6 1.0 OE1 A:GLU57 4.5 36.2 1.0 O A:VAL100 4.6 14.0 1.0 C A:ASN52 4.6 21.5 1.0 CG A:GLU59 4.7 26.6 1.0 CD A:GLU104 4.7 21.4 1.0 CA A:ASN52 4.8 22.5 1.0 OD1 A:ASN52 4.8 36.7 1.0 O A:SER50 4.9 15.6 1.0 O A:ASN101 4.9 18.4 1.0

Calcium binding site 3 out of 4 in the Carboxypeptidase T with N-Sulfamoyl-L-Leucine


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-Leucine within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:56.4 occ:1.00 O A:TYR5 2.2 17.8 1.0 OD1 A:ASP291 2.6 15.9 1.0 OE2 A:GLU292 2.6 52.1 1.0 O A:HOH629 2.7 29.2 1.0 OE1 A:GLU292 3.0 32.9 1.0 CD A:GLU292 3.1 39.7 1.0 C A:TYR5 3.4 17.3 1.0 CG A:ASP291 3.5 16.1 1.0 OD2 A:ASP291 3.8 16.0 1.0 CA A:TYR5 4.1 19.5 1.0 CB A:TYR5 4.5 20.6 1.0 N A:ASP6 4.5 15.0 1.0 OD1 A:ASP6 4.5 15.8 1.0 CG A:GLU292 4.6 34.7 1.0 N A:ASP291 4.6 12.5 1.0 CB A:ASP291 4.8 14.7 1.0 N A:GLU292 4.8 13.1 1.0 CA A:ASP6 4.8 14.2 1.0

Calcium binding site 4 out of 4 in the Carboxypeptidase T with N-Sulfamoyl-L-Leucine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Carboxypeptidase T with N-Sulfamoyl-L-Leucine within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca405 b:27.6 occ:1.00 O A:HOH504 2.3 25.6 1.0 OE1 A:GLU104 2.3 25.1 1.0 OE2 A:GLU61 2.4 18.6 1.0 O A:GLU57 2.4 24.9 1.0 OD1 A:ASP56 2.4 26.6 1.0 O A:HOH666 2.4 24.7 1.0 CD A:GLU104 3.4 21.4 1.0 CG A:ASP56 3.5 30.1 1.0 CD A:GLU61 3.5 17.3 1.0 C A:GLU57 3.7 23.8 1.0 O A:HOH507 3.8 35.5 1.0 O A:GLU59 3.8 17.4 1.0 NH2 A:ARG189 3.8 22.1 1.0 OE2 A:GLU104 3.9 23.3 1.0 OD2 A:ASP56 3.9 29.5 1.0 CG A:GLU61 4.0 17.4 1.0 N A:GLU57 4.1 23.8 1.0 N A:GLU59 4.1 22.1 1.0 O A:HOH639 4.4 33.8 1.0 OE1 A:GLN196 4.5 18.5 1.0 C A:ASP56 4.5 26.6 1.0 CA A:GLU57 4.6 23.7 1.0 CA A:ASN58 4.6 30.9 1.0 N A:ASN58 4.6 26.6 1.0 OE1 A:GLU61 4.6 17.3 1.0 CG A:GLU104 4.7 18.6 1.0 CG A:GLN196 4.7 15.2 1.0 CB A:ASP56 4.7 27.4 1.0 CA A:ASP56 4.7 25.9 1.0 CB A:GLN196 4.8 13.2 1.0 C A:GLU59 4.8 18.2 1.0 C A:ASN58 4.9 28.6 1.0 CB A:GLU104 4.9 15.6 1.0 CA A:GLU59 5.0 20.5 1.0

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