Calcium in PDB 6z28: Carboxypeptidase T Mutant L254N with N-Sulfamoyl-L-Glutamic Acid

All present enzymatic activity of Carboxypeptidase T Mutant L254N with N-Sulfamoyl-L-Glutamic Acid:
3.4.17.18;

The structure of Carboxypeptidase T Mutant L254N with N-Sulfamoyl-L-Glutamic Acid, PDB code: 6z28 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)	29.96 / 2.30
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	158.520, 158.520, 104.871, 90.00, 90.00, 120.00
R / Rfree (%)	15.8 / 18.8

The structure of Carboxypeptidase T Mutant L254N 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 Mutant L254N with N-Sulfamoyl-L-Glutamic Acid (pdb code 6z28). 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 Mutant L254N with N-Sulfamoyl-L-Glutamic Acid, PDB code: 6z28:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Carboxypeptidase T Mutant L254N 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 Mutant L254N with N-Sulfamoyl-L-Glutamic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:34.2 occ:1.00 O A:SER7 2.3 21.9 1.0 O A:TYR9 2.4 22.9 1.0 OE1 A:GLU14 2.6 21.6 1.0 O A:HOH538 2.6 31.2 1.0 O A:HOH721 2.6 26.0 1.0 OE2 A:GLU14 2.8 23.5 1.0 CD A:GLU14 3.0 21.6 1.0 C A:SER7 3.4 22.2 1.0 C A:TYR9 3.6 18.0 1.0 O A:HOH507 4.0 23.6 1.0 CA A:SER7 4.1 25.0 1.0 N A:TYR9 4.3 16.9 1.0 N A:HIS10 4.3 16.1 1.0 CA A:HIS10 4.3 15.3 1.0 C A:GLY8 4.4 19.1 1.0 CG A:GLU14 4.4 18.8 1.0 N A:GLY8 4.5 20.6 1.0 CB A:SER7 4.6 25.7 1.0 CA A:TYR9 4.6 16.9 1.0 O A:HOH749 4.6 29.1 1.0 O A:GLY8 4.7 20.3 1.0 N A:ASN11 4.7 15.2 1.0 O A:HOH555 4.7 25.8 1.0 CA A:GLY8 4.7 20.1 1.0 CB A:GLU14 4.9 17.8 1.0 OD1 A:ASP1 5.0 34.7 1.0 C A:HIS10 5.0 15.1 1.0

Calcium binding site 2 out of 4 in the Carboxypeptidase T Mutant L254N 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 Mutant L254N with N-Sulfamoyl-L-Glutamic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:36.4 occ:1.00 O A:ASP51 2.4 23.7 1.0 OD1 A:ASP51 2.5 40.6 1.0 OG A:SER50 2.5 23.9 1.0 OE1 A:GLU57 2.5 34.5 1.0 O A:HOH561 2.6 26.2 1.0 OE1 A:GLU59 2.6 32.4 1.0 O A:HOH501 2.6 57.5 1.0 OE2 A:GLU59 3.3 37.0 1.0 CD A:GLU59 3.3 30.1 1.0 C A:ASP51 3.4 24.1 1.0 CB A:SER50 3.5 21.0 1.0 CD A:GLU57 3.6 41.1 1.0 CG A:ASP51 3.7 41.7 1.0 O A:HOH509 3.7 27.7 1.0 N A:ASP51 3.8 23.4 1.0 CA A:ASP51 4.0 26.4 1.0 CG A:GLU57 4.0 34.7 1.0 C A:SER50 4.2 21.6 1.0 CG A:GLU104 4.2 27.0 1.0 CA A:SER50 4.3 20.6 1.0 O A:ARG103 4.3 18.3 1.0 CB A:ASP51 4.4 32.3 1.0 OE2 A:GLU104 4.4 30.4 1.0 CB A:GLU57 4.4 34.3 1.0 N A:ASN52 4.5 28.7 1.0 O A:VAL100 4.5 14.9 1.0 O A:ASN52 4.6 22.6 1.0 CB A:ASN52 4.6 30.5 1.0 OD2 A:ASP51 4.6 51.7 1.0 C A:ASN52 4.6 25.5 1.0 CD A:GLU104 4.7 30.6 1.0 OE2 A:GLU57 4.7 48.0 1.0 CG A:GLU59 4.8 29.5 1.0 OD1 A:ASN52 4.8 40.9 1.0 CA A:ASN52 4.8 27.4 1.0 O A:SER50 4.9 21.1 1.0

Calcium binding site 3 out of 4 in the Carboxypeptidase T Mutant L254N 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 Mutant L254N with N-Sulfamoyl-L-Glutamic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca405 b:33.7 occ:1.00 OD1 A:ASP56 2.4 36.4 1.0 OE1 A:GLU104 2.5 28.8 1.0 O A:GLU57 2.5 30.6 1.0 O A:HOH513 2.6 30.1 1.0 O A:HOH698 2.6 30.1 1.0 OE2 A:GLU61 2.7 23.6 1.0 CD A:GLU104 3.5 30.6 1.0 CG A:ASP56 3.6 38.6 1.0 C A:GLU57 3.7 35.7 1.0 CD A:GLU61 3.7 22.6 1.0 O A:GLU59 3.8 21.8 1.0 O A:HOH511 3.8 34.0 1.0 NH2 A:ARG189 3.9 22.1 1.0 OE2 A:GLU104 3.9 30.4 1.0 CG A:GLU61 4.0 18.7 1.0 N A:GLU57 4.1 30.0 1.0 N A:GLU59 4.1 31.9 1.0 OD2 A:ASP56 4.2 41.0 1.0 C A:ASP56 4.4 30.9 1.0 O A:HOH714 4.5 33.2 1.0 CA A:GLU57 4.6 33.4 1.0 OE1 A:GLN196 4.6 22.0 1.0 CG A:GLN196 4.6 19.6 1.0 CA A:ASN58 4.6 46.5 1.0 N A:ASN58 4.7 41.0 1.0 CA A:ASP56 4.7 31.1 1.0 CB A:GLN196 4.7 18.6 1.0 CB A:ASP56 4.8 32.9 1.0 CG A:GLU104 4.8 27.0 1.0 C A:GLU59 4.8 22.6 1.0 OE1 A:GLU61 4.9 22.8 1.0 C A:ASN58 4.9 40.7 1.0 CA A:GLU59 5.0 27.0 1.0

Calcium binding site 4 out of 4 in the Carboxypeptidase T Mutant L254N 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 4 of Carboxypeptidase T Mutant L254N with N-Sulfamoyl-L-Glutamic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca408 b:56.6 occ:1.00 O A:TYR5 2.4 31.8 1.0 OD1 A:ASP291 2.5 27.4 1.0 O A:HOH600 2.6 32.4 1.0 OE1 A:GLU292 2.6 32.8 1.0 OE2 A:GLU292 2.8 50.9 1.0 CD A:GLU292 3.1 43.7 1.0 CG A:ASP291 3.4 22.6 1.0 C A:TYR5 3.6 28.9 1.0 OD2 A:ASP291 3.8 24.6 1.0 CA A:TYR5 4.2 31.5 1.0 N A:ASP291 4.4 18.2 1.0 OD1 A:ASP6 4.5 20.8 1.0 CG A:GLU292 4.6 35.1 1.0 N A:GLU292 4.6 17.0 1.0 N A:ASP6 4.6 24.0 1.0 CB A:ASP291 4.6 20.9 1.0 CB A:TYR5 4.7 28.1 1.0 CA A:ASP291 4.8 18.8 1.0 CA A:ASP6 4.8 25.7 1.0

V.I.Timofeev, V.K.Akparov, I.P.Kuranova. Carboxypeptidase T Mutant L254N with with N-Sulfamoyl-L-Glut To Be Published.