Calcium in PDB 6tnk: Carboxypeptidase T with N-Sulfamoyl-L-Valine

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

The structure of Carboxypeptidase T with N-Sulfamoyl-L-Valine, PDB code: 6tnk 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)	19.99 / 1.90
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	157.531, 157.531, 104.523, 90.00, 90.00, 120.00
R / Rfree (%)	14.2 / 15.6

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

Zinc

(Zn)

1 atom

The binding sites of Calcium atom in the Carboxypeptidase T with N-Sulfamoyl-L-Valine (pdb code 6tnk). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the Carboxypeptidase T with N-Sulfamoyl-L-Valine, PDB code: 6tnk:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in the Carboxypeptidase T with N-Sulfamoyl-L-Valine


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-Valine within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:18.9 occ:1.00 OE1 A:GLU104 2.2 18.9 1.0 OD1 A:ASP56 2.3 18.8 1.0 O A:HOH520 2.3 18.1 1.0 OE2 A:GLU61 2.4 16.4 1.0 O A:GLU57 2.4 19.0 1.0 O A:HOH625 2.4 17.0 1.0 CD A:GLU104 3.4 18.3 1.0 CG A:ASP56 3.4 21.0 1.0 CD A:GLU61 3.5 17.2 1.0 C A:GLU57 3.6 22.9 1.0 NH2 A:ARG189 3.8 20.7 1.0 OD2 A:ASP56 3.8 19.3 1.0 O A:GLU59 3.9 15.8 1.0 OE2 A:GLU104 3.9 18.2 1.0 CG A:GLU61 3.9 16.0 1.0 N A:GLU57 4.0 18.1 1.0 O A:HOH509 4.0 27.8 1.0 N A:GLU59 4.3 20.2 1.0 C A:ASP56 4.4 22.4 1.0 CA A:GLU57 4.5 19.4 1.0 OE1 A:GLN196 4.5 15.7 1.0 OE1 A:GLU61 4.6 14.9 1.0 N A:ASN58 4.6 23.3 1.0 CA A:ASP56 4.6 19.8 1.0 CG A:GLU104 4.6 16.8 1.0 CB A:ASP56 4.6 21.2 1.0 CA A:ASN58 4.7 27.5 1.0 CG A:GLN196 4.7 14.5 1.0 CB A:GLN196 4.7 13.2 1.0 C A:GLU59 4.9 16.2 1.0 CB A:GLU104 4.9 14.8 1.0 C A:ASN58 5.0 25.6 1.0

Calcium binding site 2 out of 5 in the Carboxypeptidase T with N-Sulfamoyl-L-Valine


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-Valine within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:17.3 occ:1.00 OD1 A:ASP51 2.2 20.2 1.0 O A:HOH601 2.3 16.1 1.0 OE1 A:GLU57 2.3 22.7 1.0 OE1 A:GLU59 2.3 20.4 1.0 O A:ASP51 2.4 15.9 1.0 OG A:SER50 2.4 13.8 1.0 OE2 A:GLU59 2.9 32.3 1.0 CD A:GLU59 3.0 23.1 1.0 C A:ASP51 3.4 17.1 1.0 CB A:SER50 3.4 13.8 1.0 CG A:ASP51 3.4 20.3 1.0 CD A:GLU57 3.5 27.3 1.0 N A:ASP51 3.7 15.1 1.0 CA A:CA405 3.9 29.3 1.0 CA A:ASP51 3.9 16.4 1.0 CG A:GLU57 4.1 21.9 1.0 C A:SER50 4.2 14.6 1.0 CB A:ASP51 4.3 18.4 1.0 CB A:GLU57 4.3 19.4 1.0 CG A:GLU104 4.3 16.8 1.0 CA A:SER50 4.3 13.1 1.0 OD2 A:ASP51 4.3 22.9 1.0 OE2 A:GLU104 4.4 18.2 1.0 N A:ASN52 4.4 18.0 1.0 CG A:GLU59 4.5 23.1 1.0 O A:ASN52 4.5 18.6 1.0 OE2 A:GLU57 4.5 32.1 1.0 O A:ARG103 4.5 12.3 1.0 CB A:ASN52 4.5 21.2 1.0 C A:ASN52 4.6 18.8 1.0 O A:VAL100 4.6 13.7 1.0 O A:HOH512 4.6 39.5 1.0 OD1 A:ASN52 4.7 34.2 1.0 CA A:ASN52 4.8 18.3 1.0 CD A:GLU104 4.8 18.3 1.0 O A:ASN101 4.8 16.7 1.0 O A:SER50 4.9 15.5 1.0

Calcium binding site 3 out of 5 in the Carboxypeptidase T with N-Sulfamoyl-L-Valine


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-Valine within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca405 b:29.3 occ:1.00 O A:ASN101 2.3 16.7 1.0 OE2 A:GLU59 2.3 32.3 1.0 OD2 A:ASP51 2.4 22.9 1.0 O A:HOH692 2.4 33.4 1.0 O A:HOH512 2.5 39.5 1.0 OD1 A:ASP51 2.7 20.2 1.0 CG A:ASP51 2.9 20.3 1.0 C A:ASN101 3.5 17.9 1.0 CD A:GLU59 3.5 23.1 1.0 OE1 A:GLU57 3.6 22.7 1.0 CA A:CA404 3.9 17.3 1.0 CA A:ASN101 4.3 16.0 1.0 OE1 A:GLU59 4.3 20.4 1.0 CD A:GLU57 4.3 27.3 1.0 N A:ASN102 4.4 15.7 1.0 CB A:ASP51 4.4 18.4 1.0 OE2 A:GLU57 4.4 32.1 1.0 CG A:GLU59 4.4 23.1 1.0 OD1 A:ASN52 4.5 34.2 1.0 CA A:ASN102 4.5 16.6 1.0 OD1 A:ASN102 4.7 18.1 1.0 CB A:ASN101 4.8 17.8 1.0

Calcium binding site 4 out of 5 in the Carboxypeptidase T with N-Sulfamoyl-L-Valine


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-Valine within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca406 b:17.8 occ:1.00 O A:HOH691 2.3 18.4 1.0 O A:SER7 2.3 14.0 1.0 O A:TYR9 2.4 11.9 1.0 O A:HOH660 2.4 23.9 1.0 O A:HOH725 2.5 21.0 1.0 OE1 A:GLU14 2.5 14.3 1.0 OE2 A:GLU14 2.6 16.4 1.0 CD A:GLU14 2.9 17.1 1.0 C A:SER7 3.5 14.6 1.0 C A:TYR9 3.6 13.5 1.0 CA A:SER7 4.1 15.5 1.0 O A:HOH506 4.3 23.9 1.0 N A:TYR9 4.3 11.0 1.0 C A:GLY8 4.3 12.8 1.0 CA A:HIS10 4.3 11.9 1.0 N A:HIS10 4.4 11.8 1.0 CG A:GLU14 4.4 15.5 1.0 N A:GLY8 4.5 12.9 1.0 CA A:TYR9 4.6 11.1 1.0 O A:GLY8 4.6 11.6 1.0 N A:ASN11 4.7 12.3 1.0 CB A:SER7 4.7 16.9 1.0 O A:HOH603 4.7 19.7 1.0 CA A:GLY8 4.7 14.2 1.0 O A:HOH534 4.8 42.6 1.0 CB A:GLU14 5.0 13.8 1.0 OD1 A:ASP1 5.0 18.2 1.0 C A:HIS10 5.0 12.9 1.0 CD2 A:PHE2 5.0 13.4 1.0

Calcium binding site 5 out of 5 in the Carboxypeptidase T with N-Sulfamoyl-L-Valine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Carboxypeptidase T with N-Sulfamoyl-L-Valine within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca407 b:27.3 occ:1.00 O A:TYR5 2.3 16.3 1.0 OE2 A:GLU292 2.4 27.6 1.0 OD1 A:ASP291 2.4 14.1 1.0 O A:HOH737 2.4 26.0 1.0 O A:HOH724 2.5 35.4 1.0 O A:HOH630 2.5 19.3 1.0 OE1 A:GLU292 2.6 17.3 1.0 CD A:GLU292 2.8 21.7 1.0 O A:HOH606 3.3 38.1 1.0 CG A:ASP291 3.4 15.8 1.0 C A:TYR5 3.5 17.3 1.0 OD2 A:ASP291 3.8 15.2 1.0 CA A:TYR5 4.3 18.1 1.0 CG A:GLU292 4.3 21.0 1.0 OD1 A:ASP6 4.4 12.5 1.0 N A:ASP291 4.4 12.1 1.0 N A:ASP6 4.5 13.9 1.0 N A:GLU292 4.5 12.2 1.0 CB A:ASP291 4.6 13.2 1.0 CB A:TYR5 4.6 19.4 1.0 CA A:ASP6 4.8 14.2 1.0 CA A:ASP291 4.9 12.0 1.0

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