Calcium in PDB 6f75: Carboxypeptidase T Mutant L254N with Sulphamoil Leucine

All present enzymatic activity of Carboxypeptidase T Mutant L254N with Sulphamoil Leucine:
3.4.17.18;

The structure of Carboxypeptidase T Mutant L254N with Sulphamoil Leucine, PDB code: 6f75 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)	29.12 / 1.89
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	158.930, 158.930, 105.400, 90.00, 90.00, 120.00
R / Rfree (%)	15.6 / 18.1

The structure of Carboxypeptidase T Mutant L254N with Sulphamoil Leucine also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Calcium atom in the Carboxypeptidase T Mutant L254N with Sulphamoil Leucine (pdb code 6f75). 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 Sulphamoil Leucine, PDB code: 6f75:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Carboxypeptidase T Mutant L254N with Sulphamoil 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 Mutant L254N with Sulphamoil Leucine within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:33.3 occ:1.00 O A:SER7 2.3 21.4 1.0 O A:TYR9 2.4 16.0 1.0 O A:HOH620 2.4 25.7 1.0 O A:HOH693 2.5 33.0 1.0 O A:HOH756 2.5 28.5 1.0 OE1 A:GLU14 2.6 18.4 1.0 OE2 A:GLU14 2.9 20.8 1.0 CD A:GLU14 3.0 20.1 1.0 C A:SER7 3.5 20.0 1.0 C A:TYR9 3.6 15.8 1.0 O A:HOH516 4.2 29.5 1.0 CA A:SER7 4.2 20.2 1.0 CA A:HIS10 4.3 15.5 1.0 C A:GLY8 4.4 17.3 1.0 N A:TYR9 4.4 16.4 1.0 N A:HIS10 4.4 15.3 1.0 CG A:GLU14 4.5 19.0 1.0 N A:GLY8 4.5 18.5 1.0 CA A:TYR9 4.6 15.4 1.0 N A:ASN11 4.7 16.9 1.0 CA A:GLY8 4.7 18.5 1.0 CB A:SER7 4.7 21.2 1.0 O A:GLY8 4.7 17.3 1.0 O A:HOH588 4.7 26.5 1.0 C A:HIS10 5.0 16.4 1.0 OD1 A:ASP1 5.0 23.8 1.0

Calcium binding site 2 out of 4 in the Carboxypeptidase T Mutant L254N with Sulphamoil 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 Mutant L254N with Sulphamoil Leucine within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:30.3 occ:1.00 OD1 A:ASP51 2.3 35.4 1.0 OE2 A:GLU57 2.4 29.8 1.0 OG A:SER50 2.4 20.9 1.0 O A:ASP51 2.4 21.9 1.0 O A:HOH565 2.5 24.2 1.0 OE1 A:GLU59 2.5 26.7 1.0 CD A:GLU59 3.3 30.2 1.0 OE2 A:GLU59 3.4 36.8 1.0 C A:ASP51 3.4 22.9 1.0 CG A:ASP51 3.5 30.7 1.0 CB A:SER50 3.5 19.5 1.0 CD A:GLU57 3.5 32.5 1.0 N A:ASP51 3.7 21.8 1.0 O A:HOH502 3.7 22.6 1.0 CA A:ASP51 4.0 23.7 1.0 CG A:GLU57 4.1 30.3 1.0 C A:SER50 4.2 20.6 1.0 CG A:GLU104 4.3 23.0 1.0 OD2 A:ASP51 4.3 32.8 1.0 CB A:ASP51 4.3 26.7 1.0 CA A:SER50 4.4 18.7 1.0 CB A:GLU57 4.4 28.4 1.0 OE2 A:GLU104 4.4 28.1 1.0 O A:ARG103 4.4 20.3 1.0 O A:ASN52 4.5 22.3 1.0 N A:ASN52 4.5 23.1 1.0 CB A:ASN52 4.5 26.9 1.0 OE1 A:GLU57 4.5 40.4 1.0 O A:VAL100 4.5 18.4 1.0 C A:ASN52 4.7 24.0 1.0 CG A:GLU59 4.7 30.5 1.0 OD1 A:ASN52 4.7 37.0 1.0 CD A:GLU104 4.7 26.2 1.0 CA A:ASN52 4.8 24.9 1.0 O A:ASN101 4.9 25.4 1.0 O A:SER50 4.9 20.4 1.0

Calcium binding site 3 out of 4 in the Carboxypeptidase T Mutant L254N with Sulphamoil 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 Mutant L254N with Sulphamoil Leucine within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:66.2 occ:1.00 O A:TYR5 2.4 23.8 1.0 OD1 A:ASP291 2.6 18.0 1.0 O A:HOH703 2.7 20.8 1.0 O A:HOH702 2.7 26.3 1.0 CG A:ASP291 3.5 19.8 1.0 C A:TYR5 3.6 22.3 1.0 OD2 A:ASP291 3.8 18.6 1.0 CA A:TYR5 4.3 22.9 1.0 OD1 A:ASP6 4.6 20.2 1.0 CB A:TYR5 4.6 22.9 1.0 N A:ASP291 4.6 17.9 1.0 N A:ASP6 4.7 19.2 1.0 N A:GLU292 4.7 17.8 1.0 CB A:ASP291 4.8 20.0 1.0 CA A:ASP6 4.9 18.5 1.0

Calcium binding site 4 out of 4 in the Carboxypeptidase T Mutant L254N with Sulphamoil 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 Mutant L254N with Sulphamoil Leucine within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca405 b:30.1 occ:1.00 O A:HOH517 2.3 25.0 1.0 OE1 A:GLU104 2.3 30.2 1.0 OD1 A:ASP56 2.3 29.0 1.0 OE2 A:GLU61 2.4 21.2 1.0 O A:GLU57 2.4 29.8 1.0 O A:HOH676 2.5 23.5 1.0 CD A:GLU104 3.4 26.2 1.0 CG A:ASP56 3.4 33.0 1.0 CD A:GLU61 3.5 20.9 1.0 C A:GLU57 3.7 29.5 1.0 O A:HOH510 3.7 36.0 1.0 NH2 A:ARG189 3.8 26.2 1.0 O A:GLU59 3.8 21.3 1.0 OE2 A:GLU104 3.9 28.1 1.0 OD2 A:ASP56 3.9 34.6 1.0 CG A:GLU61 3.9 20.7 1.0 N A:GLU57 4.1 27.3 1.0 N A:GLU59 4.2 27.8 1.0 O A:HOH558 4.4 37.8 1.0 C A:ASP56 4.5 29.7 1.0 CA A:GLU57 4.6 28.3 1.0 CA A:ASN58 4.6 36.7 1.0 OE1 A:GLN196 4.6 24.4 1.0 N A:ASN58 4.6 31.8 1.0 OE1 A:GLU61 4.6 20.4 1.0 CG A:GLN196 4.7 19.5 1.0 CG A:GLU104 4.7 23.0 1.0 CB A:ASP56 4.7 30.6 1.0 CA A:ASP56 4.7 30.6 1.0 CB A:GLN196 4.8 18.2 1.0 C A:GLU59 4.8 23.0 1.0 CB A:GLU104 4.9 20.1 1.0 C A:ASN58 4.9 33.9 1.0

V.I.Timofeev, V.K.Akparov, I.P.Kuranova. Carboxypeptidase T Mutant L254N with Sulphamoil Leucine To Be Published.