Chlorine in PDB 5zeq: Carboxypeptidase B in Complex with DD28

All present enzymatic activity of Carboxypeptidase B in Complex with DD28:
3.4.17.2;

The structure of Carboxypeptidase B in Complex with DD28, PDB code: 5zeq was solved by T.Itoh, N.Yoshimoto, K.Yamamoto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.71 / 1.90
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.860, 78.860, 100.040, 90.00, 90.00, 90.00
R / Rfree (%)	15.2 / 20.4

The structure of Carboxypeptidase B in Complex with DD28 also contains other interesting chemical elements:

Zinc	(Zn)	7 atoms
Arsenic	(As)	1 atom

The binding sites of Chlorine atom in the Carboxypeptidase B in Complex with DD28 (pdb code 5zeq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Carboxypeptidase B in Complex with DD28, PDB code: 5zeq:

Chlorine binding site 1 out of 1 in the Carboxypeptidase B in Complex with DD28


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Carboxypeptidase B in Complex with DD28 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:27.6 occ:1.00 CL1 A:9B3406 0.0 27.6 1.0 C2 A:9B3406 1.7 27.0 1.0 C1 A:9B3406 2.6 28.7 1.0 C3 A:9B3406 2.7 28.8 1.0 N1 A:9B3406 2.9 27.1 1.0 O A:ASN144 3.2 13.3 1.0 CB A:ALA250 3.3 15.8 1.0 NH1 A:ARG145 3.4 11.2 1.0 O A:ALA250 3.4 16.8 1.0 O A:HOH644 3.5 13.1 1.0 CA A:GLY253 3.6 12.4 1.0 N A:GLY253 3.6 12.9 1.0 C A:ALA250 3.6 15.3 1.0 CZ A:ARG145 3.9 12.3 1.0 C5 A:9B3406 3.9 29.1 1.0 O A:ALA251 4.0 13.5 1.0 N2 A:9B3406 4.0 34.1 1.0 ND2 A:ASN144 4.0 12.7 1.0 CD A:ARG145 4.1 11.1 1.0 CA A:ALA250 4.1 16.0 1.0 NE A:ARG145 4.2 11.1 1.0 C A:ALA251 4.2 13.7 1.0 N A:ALA251 4.2 13.6 1.0 C4 A:9B3406 4.4 30.3 1.0 C A:ASN144 4.5 11.5 1.0 C A:GLY252 4.5 12.6 1.0 CG A:ASN144 4.5 11.8 1.0 CB A:SER207 4.5 14.2 1.0 O1 A:9B3406 4.6 16.5 1.0 O A:HOH623 4.6 22.7 1.0 CA A:ALA251 4.6 14.1 1.0 NH2 A:ARG145 4.7 11.6 1.0 N A:GLY252 4.7 12.4 1.0 OG A:SER207 4.9 14.4 1.0 OD1 A:ASN144 5.0 9.9 1.0 C A:GLY253 5.0 12.7 1.0

T.Itoh, N.Yoshimoto, Y.Hirano, K.Yamamoto. Structural Basis For the Selective Inhibition of Activated Thrombin-Activatable Fibrinolysis Inhibitor (Tafia) By A Selenium-Containing Inhibitor with Chloro-Aminopyridine As A Basic Group Bioorg. Med. Chem. Lett. V. 28 2256 2018.
ISSN: ESSN 1464-3405
PubMed: 29859906
DOI: 10.1016/J.BMCL.2018.05.042