Calcium in PDB 6t9y: Carboxypeptidase T with N-Sulfamoyl-L-Lysin

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

The structure of Carboxypeptidase T with N-Sulfamoyl-L-Lysin, PDB code: 6t9y 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)	28.89 / 1.92
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	158.050, 158.050, 104.391, 90.00, 90.00, 120.00
R / Rfree (%)	14.7 / 16.1

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

Zinc

(Zn)

1 atom

The binding sites of Calcium atom in the Carboxypeptidase T with N-Sulfamoyl-L-Lysin (pdb code 6t9y). 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-Lysin, PDB code: 6t9y:
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-Lysin


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-Lysin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:21.4 occ:1.00 O A:HOH663 2.3 20.2 1.0 O A:SER7 2.3 14.7 1.0 O A:TYR9 2.4 11.0 1.0 O A:HOH723 2.4 21.4 1.0 O A:HOH690 2.5 24.1 1.0 OE1 A:GLU14 2.5 13.9 1.0 OE2 A:GLU14 2.7 16.9 1.0 CD A:GLU14 2.9 17.5 1.0 C A:SER7 3.5 13.7 1.0 C A:TYR9 3.6 13.2 1.0 CA A:SER7 4.2 14.1 1.0 O A:HOH514 4.2 25.4 1.0 N A:TYR9 4.3 11.2 1.0 CA A:HIS10 4.3 11.8 1.0 C A:GLY8 4.4 13.2 1.0 N A:HIS10 4.4 10.7 1.0 CG A:GLU14 4.4 15.6 1.0 O A:HOH747 4.5 31.3 1.0 N A:GLY8 4.5 13.4 1.0 CA A:TYR9 4.6 10.6 1.0 N A:ASN11 4.6 11.3 1.0 O A:GLY8 4.6 11.7 1.0 CB A:SER7 4.7 14.8 1.0 CA A:GLY8 4.7 14.1 1.0 O A:HOH580 4.7 20.0 1.0 CB A:GLU14 4.9 14.5 1.0 C A:HIS10 4.9 13.1 1.0 OD1 A:ASP1 5.0 19.1 1.0

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


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-Lysin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:23.6 occ:1.00 OD1 A:ASP51 2.3 31.1 1.0 O A:HOH611 2.4 17.6 1.0 OG A:SER50 2.4 13.7 1.0 OE2 A:GLU57 2.4 25.2 1.0 OE1 A:GLU59 2.4 23.4 1.0 O A:ASP51 2.4 16.5 1.0 CD A:GLU59 3.2 24.1 1.0 OE2 A:GLU59 3.3 34.8 1.0 CB A:SER50 3.4 13.1 1.0 CG A:ASP51 3.4 27.6 1.0 C A:ASP51 3.5 17.8 1.0 CD A:GLU57 3.5 31.8 1.0 N A:ASP51 3.7 16.1 1.0 O A:HOH502 3.8 18.4 1.0 CA A:ASP51 4.0 18.5 1.0 CG A:GLU57 4.1 27.3 1.0 C A:SER50 4.2 14.5 1.0 CG A:GLU104 4.3 17.2 1.0 CB A:ASP51 4.3 22.6 1.0 CA A:SER50 4.3 11.9 1.0 CB A:GLU57 4.3 23.5 1.0 OD2 A:ASP51 4.4 31.7 1.0 OE2 A:GLU104 4.4 21.5 1.0 O A:ARG103 4.4 12.3 1.0 O A:ASN52 4.5 18.6 1.0 OE1 A:GLU57 4.5 38.0 1.0 CB A:ASN52 4.5 22.1 1.0 N A:ASN52 4.5 19.4 1.0 O A:VAL100 4.6 13.4 1.0 C A:ASN52 4.6 19.2 1.0 CG A:GLU59 4.6 24.0 1.0 CD A:GLU104 4.7 21.7 1.0 CA A:ASN52 4.8 19.8 1.0 OD1 A:ASN52 4.8 39.7 1.0 O A:SER50 4.9 14.5 1.0 O A:ASN101 4.9 15.0 1.0

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


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-Lysin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca405 b:45.1 occ:1.00 O A:TYR5 2.4 17.2 1.0 OE2 A:GLU292 2.4 35.9 1.0 OD1 A:ASP291 2.5 14.1 1.0 O A:HOH614 2.6 22.8 1.0 OE1 A:GLU292 2.8 19.7 1.0 CD A:GLU292 3.0 27.9 1.0 CG A:ASP291 3.4 16.4 1.0 O A:HOH543 3.5 36.6 1.0 C A:TYR5 3.5 19.4 1.0 OD2 A:ASP291 3.8 15.6 1.0 CA A:TYR5 4.3 19.7 1.0 OD1 A:ASP6 4.4 13.7 1.0 CG A:GLU292 4.5 23.7 1.0 N A:ASP291 4.5 12.0 1.0 N A:ASP6 4.5 14.4 1.0 CB A:ASP291 4.6 12.8 1.0 N A:GLU292 4.6 11.1 1.0 CB A:TYR5 4.6 19.8 1.0 CA A:ASP6 4.8 13.8 1.0 CA A:ASP291 4.9 11.1 1.0

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


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-Lysin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca406 b:28.2 occ:1.00 O A:HOH510 2.2 22.0 1.0 OE1 A:GLU104 2.3 24.1 1.0 OD1 A:ASP56 2.4 26.5 1.0 OE2 A:GLU61 2.4 16.6 1.0 O A:HOH643 2.5 21.6 1.0 O A:GLU57 2.6 23.6 1.0 CD A:GLU104 3.4 21.7 1.0 CG A:ASP56 3.5 33.3 1.0 CD A:GLU61 3.5 16.5 1.0 NH2 A:ARG189 3.7 24.6 1.0 O A:GLU59 3.8 16.1 1.0 C A:GLU57 3.8 26.7 1.0 O A:HOH503 3.8 34.4 1.0 OE2 A:GLU104 3.9 21.5 1.0 OD2 A:ASP56 3.9 29.9 1.0 CG A:GLU61 4.0 15.8 1.0 N A:GLU59 4.1 22.1 1.0 N A:GLU57 4.2 23.1 1.0 OE1 A:GLN196 4.4 17.7 1.0 C A:ASP56 4.5 28.3 1.0 CA A:ASN58 4.6 33.5 1.0 CG A:GLU104 4.6 17.2 1.0 OE1 A:GLU61 4.6 16.0 1.0 CA A:GLU57 4.7 24.0 1.0 N A:ASN58 4.7 26.9 1.0 CB A:GLN196 4.7 12.9 1.0 CG A:GLN196 4.7 13.8 1.0 CA A:ASP56 4.7 25.7 1.0 CB A:ASP56 4.8 27.1 1.0 C A:GLU59 4.8 16.9 1.0 C A:ASN58 4.8 29.9 1.0 CB A:GLU104 4.9 14.7 1.0 CA A:GLU59 5.0 20.4 1.0 CZ A:ARG189 5.0 24.6 1.0

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