Zinc in PDB 4duk: Carboxypeptidase T with L-Benzylsuccinic Acid

All present enzymatic activity of Carboxypeptidase T with L-Benzylsuccinic Acid:
3.4.17.18;

The structure of Carboxypeptidase T with L-Benzylsuccinic Acid, PDB code: 4duk 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)	10.00 / 1.57
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	157.939, 157.939, 104.437, 90.00, 90.00, 120.00
R / Rfree (%)	15.1 / 16.7

The structure of Carboxypeptidase T with L-Benzylsuccinic Acid also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Zinc atom in the Carboxypeptidase T with L-Benzylsuccinic Acid (pdb code 4duk). 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 L-Benzylsuccinic Acid, PDB code: 4duk:

Zinc binding site 1 out of 1 in the Carboxypeptidase T with L-Benzylsuccinic 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 L-Benzylsuccinic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:9.2 occ:1.00 ND1 A:HIS204 2.1 8.2 1.0 ND1 A:HIS69 2.1 7.6 1.0 OE2 A:GLU72 2.2 8.6 1.0 O2 A:BZS405 2.3 11.7 1.0 O1 A:BZS405 2.3 13.6 1.0 OE1 A:GLU72 2.4 8.3 1.0 C1 A:BZS405 2.6 12.6 1.0 CD A:GLU72 2.6 8.2 1.0 CE1 A:HIS69 3.0 8.6 1.0 CE1 A:HIS204 3.0 8.0 1.0 CG A:HIS204 3.1 7.5 1.0 CG A:HIS69 3.2 8.2 1.0 CB A:HIS204 3.5 7.8 1.0 CB A:HIS69 3.6 8.3 1.0 C2 A:BZS405 4.0 12.2 1.0 O A:THR205 4.1 7.8 1.0 O A:HOH517 4.1 14.9 1.0 O A:HOH521 4.1 12.6 1.0 CG A:GLU72 4.1 8.6 1.0 NE2 A:HIS69 4.2 8.7 1.0 NE2 A:HIS204 4.2 8.2 1.0 CD2 A:HIS204 4.3 7.9 1.0 CD2 A:HIS69 4.3 8.2 1.0 NH1 A:ARG129 4.3 10.1 1.0 CA A:HIS204 4.4 7.3 1.0 CA A:BZS405 4.5 12.6 1.0 O4 A:BZS405 4.6 10.2 1.0 N A:THR205 4.6 7.2 1.0 O A:HOH646 4.6 20.5 0.9 OE2 A:GLU277 4.7 13.8 1.0 C A:BZS405 4.7 12.3 1.0 CA A:HIS69 4.9 8.5 1.0 N A:HIS69 4.9 9.3 1.0 OE1 A:GLU277 4.9 12.3 1.0

V.K.H.Akparov, V.I.Timofeev, I.G.Khaliullin, V.Svedas, G.G.Chestukhina, I.P.Kuranova. Structural Insights Into the Broad Substrate Specificity of Carboxypeptidase T From Thermoactinomyces Vulgaris. Febs J. V. 282 1214 2015.
ISSN: ISSN 1742-464X
PubMed: 25619204
DOI: 10.1111/FEBS.13210