Calcium in PDB 4gm5: Carboxypeptidase T with Sulphamoil Arginine

All present enzymatic activity of Carboxypeptidase T with Sulphamoil Arginine:
3.4.17.18;

The structure of Carboxypeptidase T with Sulphamoil Arginine, PDB code: 4gm5 was solved by S.A.Kuznetsov, 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)	20.00 / 1.39
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	158.050, 158.050, 104.980, 90.00, 90.00, 120.00
R / Rfree (%)	14.2 / 16.2

The structure of Carboxypeptidase T with Sulphamoil Arginine also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Calcium atom in the Carboxypeptidase T with Sulphamoil Arginine (pdb code 4gm5). 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 Sulphamoil Arginine, PDB code: 4gm5:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Carboxypeptidase T with Sulphamoil Arginine


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 Sulphamoil Arginine within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:21.9 occ:1.00 O A:HOH748 2.3 20.7 1.0 O A:SER7 2.3 14.9 0.9 O A:HOH656 2.3 33.0 1.0 O A:TYR9 2.4 12.8 0.9 O A:HOH578 2.4 25.9 1.0 OE1 A:GLU14 2.5 14.3 0.8 OE2 A:GLU14 2.7 17.7 0.8 CD A:GLU14 2.9 14.5 0.8 C A:SER7 3.5 12.5 0.7 C A:TYR9 3.5 10.3 0.6 CA A:SER7 4.2 14.0 0.8 CA A:HIS10 4.3 12.3 1.0 O A:HOH629 4.3 28.5 1.0 C A:GLY8 4.3 12.8 0.9 N A:TYR9 4.3 11.4 1.0 N A:HIS10 4.3 11.9 1.0 CG A:GLU14 4.4 13.9 1.0 N A:GLY8 4.5 14.6 1.0 CA A:TYR9 4.6 11.0 1.0 O A:HOH719 4.6 35.6 1.0 O A:HOH640 4.6 25.3 1.0 N A:ASN11 4.6 12.2 1.0 O A:GLY8 4.6 15.4 1.0 CA A:GLY8 4.6 13.9 1.0 O A:HOH880 4.7 42.4 1.0 CB A:SER7 4.7 16.8 1.0 CB A:GLU14 4.9 14.0 1.0 C A:HIS10 5.0 11.7 1.0

Calcium binding site 2 out of 4 in the Carboxypeptidase T with Sulphamoil Arginine


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 Sulphamoil Arginine within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:20.3 occ:1.00 OG A:SER50 2.3 15.4 0.8 OE1 A:GLU57 2.3 25.5 1.0 O A:ASP51 2.3 19.0 0.9 OD1 A:ASP51 2.4 23.3 0.9 OE1 A:GLU59 2.4 22.6 0.8 O A:HOH585 2.4 19.9 1.0 CD A:GLU59 3.3 27.4 0.8 CB A:SER50 3.4 15.6 1.0 C A:ASP51 3.4 16.9 0.9 CD A:GLU57 3.4 25.8 0.7 CG A:ASP51 3.6 19.2 0.6 OE2 A:GLU59 3.6 34.0 0.8 N A:ASP51 3.7 15.7 1.0 O A:HOH750 3.8 22.1 1.0 CA A:ASP51 4.0 18.5 1.0 CG A:GLU57 4.0 24.5 1.0 C A:SER50 4.1 14.0 0.8 CG A:GLU104 4.2 16.3 1.0 CB A:GLU57 4.3 22.6 1.0 CA A:SER50 4.3 14.4 1.0 O A:ARG103 4.3 13.9 0.8 OE2 A:GLU104 4.4 17.2 0.8 CB A:ASP51 4.4 20.6 1.0 OD2 A:ASP51 4.4 21.9 0.6 O A:ASN52 4.4 19.5 1.0 N A:ASN52 4.5 18.6 0.8 OE2 A:GLU57 4.5 21.6 0.3 CB A:ASN52 4.5 21.4 1.0 O A:VAL100 4.5 15.0 0.9 CG A:GLU59 4.6 27.4 1.0 C A:ASN52 4.6 19.1 0.9 CD A:GLU104 4.7 16.8 0.6 OD1 A:ASN52 4.8 25.5 0.6 CA A:ASN52 4.8 20.0 0.9 O A:SER50 4.9 14.9 0.9 O A:ASN101 5.0 17.2 0.8

Calcium binding site 3 out of 4 in the Carboxypeptidase T with Sulphamoil Arginine


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 Sulphamoil Arginine within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:39.1 occ:1.00 O A:HOH628 2.3 23.3 1.0 O A:TYR5 2.3 18.2 0.9 O A:HOH763 2.4 31.6 0.7 OE2 A:GLU292 2.4 23.4 0.5 OD1 A:ASP291 2.4 15.6 0.9 O A:HOH764 2.5 39.0 0.7 OE1 A:GLU292 2.6 21.5 1.0 CD A:GLU292 2.9 20.3 0.4 CG A:ASP291 3.4 12.7 0.8 C A:TYR5 3.5 15.1 0.6 OD2 A:ASP291 3.8 14.7 0.9 O A:HOH815 3.8 38.9 1.0 CA A:TYR5 4.3 18.9 0.9 CG A:GLU292 4.3 18.6 0.7 N A:ASP291 4.4 12.4 1.0 OD1 A:ASP6 4.4 14.2 0.9 O A:HOH765 4.4 27.3 0.7 N A:GLU292 4.5 12.9 1.0 N A:ASP6 4.6 15.9 1.0 CB A:TYR5 4.6 22.0 1.0 CB A:ASP291 4.6 13.1 1.0 CA A:ASP6 4.8 13.9 1.0 CA A:ASP291 4.9 11.7 1.0 O A:HOH816 4.9 39.1 1.0 CB A:PRO290 5.0 15.3 0.9

Calcium binding site 4 out of 4 in the Carboxypeptidase T with Sulphamoil Arginine


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 Sulphamoil Arginine within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca405 b:22.2 occ:1.00 O A:HOH747 2.2 22.3 1.0 OE1 A:GLU104 2.3 21.9 1.0 OE2 A:GLU61 2.4 16.8 1.0 OD1 A:ASP56 2.4 18.8 0.8 O A:GLU57 2.4 20.6 0.8 O A:HOH612 2.4 23.2 1.0 CD A:GLU104 3.4 16.8 0.6 CG A:ASP56 3.4 19.8 0.4 CD A:GLU61 3.5 12.6 0.8 C A:GLU57 3.7 20.3 0.6 NH2 A:ARG189 3.8 19.5 0.9 O A:HOH671 3.8 30.8 1.0 OE2 A:GLU104 3.9 17.2 0.8 OD2 A:ASP56 3.9 18.6 0.5 O A:GLU59 3.9 15.9 0.9 CG A:GLU61 3.9 13.2 1.0 N A:GLU57 4.0 19.2 0.9 N A:GLU59 4.3 22.8 1.0 C A:ASP56 4.4 20.3 0.9 NE2 A:GLN196 4.5 17.1 1.0 CA A:GLU57 4.5 20.0 1.0 OE1 A:GLU61 4.6 12.1 0.8 O A:HOH784 4.6 34.8 1.0 N A:ASN58 4.6 22.2 0.1 N A:ASN58 4.6 24.4 0.8 CA A:ASN58 4.6 22.8 0.1 CA A:ASN58 4.6 26.0 0.8 CG A:GLU104 4.6 16.3 1.0 CB A:ASP56 4.6 21.8 1.0 CA A:ASP56 4.7 18.4 0.8 CG A:GLN196 4.7 14.6 1.0 CB A:GLN196 4.8 13.8 1.0 CB A:GLU104 4.9 15.1 1.0 C A:GLU59 4.9 17.9 1.0

S.A.Kuznetsov, V.I.Timofeev, V.K.Akparov, I.P.Kuranova. Carboxypeptidase T with Sulphamoil Arginine To Be Published.