Calcium in PDB 3prt: Mutant of the Carboxypeptidase T

All present enzymatic activity of Mutant of the Carboxypeptidase T:
3.4.17.18;

The structure of Mutant of the Carboxypeptidase T, PDB code: 3prt was solved by V.I.Timofeev, V.K.Akparov, A.M.Grishin, I.P.Kuranova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.66
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	157.600, 157.600, 103.925, 90.00, 90.00, 120.00
R / Rfree (%)	16.8 / 18.8

The structure of Mutant of the Carboxypeptidase T also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Calcium atom in the Mutant of the Carboxypeptidase T (pdb code 3prt). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Mutant of the Carboxypeptidase T, PDB code: 3prt:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Mutant of the Carboxypeptidase T


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Mutant of the Carboxypeptidase T within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:30.7 occ:1.00 OE1 A:GLU104 2.1 26.6 1.0 O A:HOH555 2.2 31.3 1.0 OE2 A:GLU61 2.3 23.4 1.0 OD1 A:ASP56 2.4 33.2 1.0 O A:HOH556 2.6 31.1 1.0 O A:GLU57 2.6 32.4 1.0 CD A:GLU104 3.3 25.9 1.0 CD A:GLU61 3.4 22.1 1.0 CG A:ASP56 3.5 33.4 1.0 NH2 A:ARG189 3.7 26.4 1.0 CG A:GLU61 3.7 20.4 1.0 OE2 A:GLU104 3.8 28.0 1.0 O A:GLU59 3.8 26.4 1.0 C A:GLU57 3.9 32.4 1.0 O A:HOH437 3.9 39.5 1.0 OD2 A:ASP56 4.0 34.2 1.0 N A:GLU57 4.2 32.3 1.0 N A:GLU59 4.3 29.8 1.0 OE1 A:GLN196 4.4 25.4 1.0 OE1 A:GLU61 4.5 21.7 1.0 CG A:GLU104 4.5 23.2 1.0 C A:ASP56 4.6 32.4 1.0 O A:HOH371 4.6 45.2 1.0 CG A:GLN196 4.6 21.6 1.0 CB A:GLN196 4.7 20.6 1.0 CA A:GLU57 4.7 32.5 1.0 CB A:ASP56 4.7 32.6 1.0 CA A:ASP56 4.7 32.4 1.0 C A:GLU59 4.8 26.7 1.0 N A:ASN58 4.8 32.2 1.0 CB A:GLU104 4.8 21.8 1.0 CA A:ASN58 4.9 32.1 1.0 CZ A:ARG189 5.0 25.8 1.0

Calcium binding site 2 out of 4 in the Mutant of the Carboxypeptidase T


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Mutant of the Carboxypeptidase T within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:34.5 occ:1.00 OE2 A:GLU57 2.3 35.3 1.0 O A:ASP51 2.3 26.3 1.0 OG A:SER50 2.3 22.4 1.0 O A:HOH495 2.4 25.7 1.0 OE1 A:GLU59 2.5 32.4 1.0 OD1 A:ASP51 2.5 30.2 1.0 CD A:GLU59 3.3 32.4 1.0 C A:ASP51 3.4 26.1 1.0 CD A:GLU57 3.5 35.0 1.0 CB A:SER50 3.5 21.1 1.0 OE2 A:GLU59 3.5 34.4 1.0 CG A:ASP51 3.6 28.0 1.0 CA A:CA403 3.6 55.5 1.0 N A:ASP51 3.7 23.8 1.0 CA A:ASP51 4.0 25.5 1.0 CG A:GLU57 4.1 33.7 1.0 C A:SER50 4.1 22.2 1.0 CG A:GLU104 4.3 23.2 1.0 CA A:SER50 4.3 21.2 1.0 OD2 A:ASP51 4.3 31.1 1.0 CB A:ASP51 4.4 26.1 1.0 CB A:GLU57 4.4 32.6 1.0 O A:ASN52 4.4 28.3 1.0 O A:ARG103 4.4 22.2 1.0 O A:VAL100 4.4 22.1 1.0 N A:ASN52 4.5 27.2 1.0 OE1 A:GLU57 4.5 36.3 1.0 OE2 A:GLU104 4.6 28.0 1.0 CB A:ASN52 4.6 28.8 1.0 C A:ASN52 4.6 28.1 1.0 CG A:GLU59 4.7 30.7 1.0 CA A:ASN52 4.8 28.1 1.0 CD A:GLU104 4.9 25.9 1.0 O A:SER50 4.9 21.3 1.0 O A:ASN101 4.9 23.4 1.0 OD1 A:ASN52 5.0 34.1 1.0

Calcium binding site 3 out of 4 in the Mutant of the Carboxypeptidase T


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Mutant of the Carboxypeptidase T within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:55.5 occ:1.00 OE2 A:GLU59 2.5 34.4 1.0 O A:ASN101 2.6 23.4 1.0 OD1 A:ASP51 2.6 30.2 1.0 OD2 A:ASP51 2.8 31.1 1.0 O A:HOH478 2.9 59.8 1.0 OE2 A:GLU57 3.0 35.3 1.0 CG A:ASP51 3.1 28.0 1.0 CD A:GLU59 3.5 32.4 1.0 C A:ASN101 3.6 23.2 1.0 CA A:CA402 3.6 34.5 1.0 CD A:GLU57 3.8 35.0 1.0 OE1 A:GLU57 3.9 36.3 1.0 OE1 A:GLU59 4.0 32.4 1.0 CA A:ASN101 4.4 22.9 1.0 OD1 A:ASN52 4.5 34.1 1.0 N A:ASN102 4.5 22.9 1.0 CB A:ASP51 4.6 26.1 1.0 CG A:GLU59 4.6 30.7 1.0 CA A:ASN102 4.7 23.2 1.0 O A:ASP51 4.8 26.3 1.0

Calcium binding site 4 out of 4 in the Mutant of the Carboxypeptidase T


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Mutant of the Carboxypeptidase T within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:44.6 occ:1.00 O A:SER7 2.2 21.6 1.0 O A:TYR9 2.4 18.8 1.0 O A:HOH424 2.4 45.9 1.0 OE1 A:GLU14 2.7 23.4 1.0 O A:HOH533 2.8 30.6 1.0 OE2 A:GLU14 3.0 25.8 1.0 CD A:GLU14 3.2 23.4 1.0 C A:SER7 3.4 21.5 1.0 C A:TYR9 3.6 19.1 1.0 CA A:SER7 4.1 21.7 1.0 N A:TYR9 4.2 19.4 1.0 O A:HOH418 4.3 38.5 1.0 C A:GLY8 4.3 19.9 1.0 N A:GLY8 4.4 20.9 1.0 CA A:HIS10 4.4 19.0 1.0 N A:HIS10 4.4 18.8 1.0 CA A:TYR9 4.5 19.1 1.0 O A:HOH545 4.5 36.5 1.0 CG A:GLU14 4.6 21.4 1.0 CA A:GLY8 4.6 20.6 1.0 CB A:SER7 4.6 22.0 1.0 O A:GLY8 4.7 19.8 1.0 N A:ASN11 4.7 18.9 1.0 CD1 A:PHE2 4.9 21.7 1.0

V.I.Timofeev, V.K.Akparov, A.M.Grishin, I.P.Kuranova. N/A N/A.