Zinc in PDB 7q87: Carboxypeptidase T with (S)-3-Phenyllactic Acid

All present enzymatic activity of Carboxypeptidase T with (S)-3-Phenyllactic Acid:
3.4.17.18;

The structure of Carboxypeptidase T with (S)-3-Phenyllactic Acid, PDB code: 7q87 was solved by V.I.Timofeev, V.K.Akparov, M.B.Shevtsov, I.P.Kuranova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.94 / 1.73
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	157.328, 157.328, 104.132, 90, 90, 120
R / Rfree (%)	13.1 / 14.5

The structure of Carboxypeptidase T with (S)-3-Phenyllactic Acid also contains other interesting chemical elements:

Calcium

(Ca)

6 atoms

The binding sites of Zinc atom in the Carboxypeptidase T with (S)-3-Phenyllactic Acid (pdb code 7q87). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Carboxypeptidase T with (S)-3-Phenyllactic Acid, PDB code: 7q87:

Zinc binding site 1 out of 1 in the Carboxypeptidase T with (S)-3-Phenyllactic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Carboxypeptidase T with (S)-3-Phenyllactic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:10.8 occ:1.00 ND1 A:HIS69 2.0 10.9 1.0 ND1 A:HIS204 2.0 9.6 1.0 OE1 A:GLU72 2.2 11.4 1.0 OXT A:HFA403 2.2 19.7 1.0 O A:HFA403 2.3 40.9 1.0 OE2 A:GLU72 2.3 12.7 1.0 C A:HFA403 2.5 28.5 1.0 CD A:GLU72 2.5 10.3 1.0 CE1 A:HIS69 3.0 10.4 1.0 CE1 A:HIS204 3.0 9.4 1.0 CG A:HIS204 3.1 9.2 1.0 CG A:HIS69 3.1 8.9 1.0 CB A:HIS204 3.4 8.7 1.0 CB A:HIS69 3.5 10.1 1.0 O A:THR205 3.9 9.9 1.0 O A:HOH689 3.9 13.6 1.0 CA A:HFA402 4.0 10.7 0.3 CG A:GLU72 4.0 10.0 1.0 CA A:HFA403 4.1 32.5 1.0 CA A:HFA402 4.1 12.1 0.3 NE2 A:HIS69 4.1 10.1 1.0 NE2 A:HIS204 4.2 10.0 1.0 O A:HOH518 4.2 18.1 1.0 CD2 A:HIS204 4.2 10.4 1.0 CD2 A:HIS69 4.2 10.0 1.0 OXT A:HFA402 4.2 9.7 0.3 CA A:HFA402 4.2 17.5 0.3 CA A:HIS204 4.2 8.6 1.0 C A:HFA402 4.3 12.4 0.3 OA A:HFA402 4.4 14.9 0.3 NH1 A:ARG129 4.4 12.1 1.0 OA A:HFA402 4.4 17.1 0.3 C A:HFA402 4.4 8.8 0.3 N A:THR205 4.5 8.7 1.0 OXT A:HFA402 4.5 9.2 0.3 OXT A:HFA402 4.6 10.8 0.3 C A:HFA402 4.6 9.8 0.3 O A:HFA402 4.6 15.4 0.3 OE2 A:GLU277 4.7 27.5 1.0 CA A:HIS69 4.8 9.6 1.0 OA A:HFA403 4.8 33.4 1.0 N A:HIS69 4.8 10.2 1.0 OE1 A:GLU277 4.8 18.0 1.0 CB A:HFA402 4.9 28.1 0.3 CB A:GLU72 4.9 10.0 1.0 C A:HIS204 4.9 8.7 1.0 CB A:HFA402 5.0 15.3 0.3

V.I.Timofeev, V.K.Akparov, M.B.Shevtsov, I.P.Kuranova. Carboxypeptidase T with (S)-3-Phenyllactic Acid To Be Published.