Chlorine in PDB 5na7: Structure of Dpp III From Bacteroides Thetaiotaomicron

All present enzymatic activity of Structure of Dpp III From Bacteroides Thetaiotaomicron:
3.4.14.4;

The structure of Structure of Dpp III From Bacteroides Thetaiotaomicron, PDB code: 5na7 was solved by I.Sabljic, M.Luic, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.59 / 2.40
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	103.509, 103.509, 141.049, 90.00, 90.00, 120.00
R / Rfree (%)	20.2 / 24.4

The structure of Structure of Dpp III From Bacteroides Thetaiotaomicron also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Structure of Dpp III From Bacteroides Thetaiotaomicron (pdb code 5na7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of Dpp III From Bacteroides Thetaiotaomicron, PDB code: 5na7:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structure of Dpp III From Bacteroides Thetaiotaomicron


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Dpp III From Bacteroides Thetaiotaomicron within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl704 b:43.4 occ:1.00 O A:HOH1000 3.7 32.0 1.0 CB A:PRO387 4.0 26.6 1.0 O A:HOH948 4.1 19.2 1.0 CD1 A:LEU386 4.1 30.3 1.0 CA A:PRO387 4.1 28.4 1.0 CB A:LEU386 4.2 30.7 1.0 CE1 A:TYR287 4.2 31.2 1.0 OH A:TYR287 4.3 34.4 1.0 CE3 A:TRP291 4.3 24.6 1.0 CZ3 A:TRP291 4.3 27.0 1.0 CG A:LEU386 4.5 33.2 1.0 CZ A:TYR287 4.7 33.4 1.0 CD2 A:LEU386 4.7 31.7 1.0 CD2 A:TRP291 4.7 28.4 1.0 CZ A:PHE284 4.7 25.9 1.0 CH2 A:TRP291 4.8 28.4 1.0 N A:PRO387 4.8 30.5 1.0

Chlorine binding site 2 out of 3 in the Structure of Dpp III From Bacteroides Thetaiotaomicron


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Dpp III From Bacteroides Thetaiotaomicron within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl705 b:35.2 occ:1.00 N A:GLY418 3.6 27.6 1.0 N A:GLU421 3.7 23.8 1.0 N A:ASN420 3.7 24.4 1.0 N A:GLY416 3.8 25.5 1.0 CB A:ASN420 3.9 21.1 1.0 CA A:GLY416 3.9 27.1 1.0 N A:PHE419 4.0 28.2 1.0 CA A:GLY418 4.1 25.9 1.0 N A:ASN417 4.1 28.7 1.0 C A:GLY418 4.1 27.0 1.0 C A:GLY416 4.2 28.5 1.0 CA A:ASN420 4.2 22.2 1.0 OD1 A:ASN417 4.2 21.6 1.0 C A:ASN420 4.4 22.6 1.0 CB A:GLU421 4.4 36.2 1.0 C A:PHE419 4.6 24.4 1.0 CA A:GLU421 4.7 29.5 1.0 C A:ASN417 4.7 30.2 1.0 O A:GLY418 4.8 28.2 1.0 CG A:ASN420 4.9 21.5 1.0 CA A:PHE419 4.9 25.1 1.0 O A:GLY416 5.0 24.5 1.0 O A:ALA414 5.0 28.1 1.0 CA A:ASN417 5.0 28.3 1.0 CD A:ARG430 5.0 45.0 1.0

Chlorine binding site 3 out of 3 in the Structure of Dpp III From Bacteroides Thetaiotaomicron


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Dpp III From Bacteroides Thetaiotaomicron within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl706 b:46.9 occ:1.00 NZ A:LYS75 3.7 36.1 1.0 OH A:TYR76 3.7 32.5 1.0 CE A:LYS75 3.9 34.2 1.0 O A:HOH835 4.1 36.2 1.0 CE2 A:TYR76 4.3 24.5 1.0 CZ A:TYR76 4.5 30.2 1.0 CD A:LYS75 4.8 31.3 1.0

I.Sabljic, N.Mestrovic, B.Vukelic, P.Macheroux, K.Gruber, M.Luic, M.Abramic. Crystal Structure of Dipeptidyl Peptidase III From the Human Gut Symbiont Bacteroides Thetaiotaomicron. Plos One V. 12 87295 2017.
ISSN: ESSN 1932-6203
PubMed: 29095893
DOI: 10.1371/JOURNAL.PONE.0187295