Chlorine in PDB 5tpu: X-Ray Structure of the Wlarb Tdp-Quinovose 3,4-Ketoisomerase From Campylobacter Jejuni

The structure of X-Ray Structure of the Wlarb Tdp-Quinovose 3,4-Ketoisomerase From Campylobacter Jejuni, PDB code: 5tpu was solved by H.M.Holden, J.B.Thoden, J.Z.Li, A.S.Riegert, M.-F.Goneau, A.M.Cunningham, E.Vinogradov, I.C.Schoenhofen, M.Gilbert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.00
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	104.600, 104.600, 93.900, 90.00, 90.00, 120.00
R / Rfree (%)	17.9 / 24.5

The binding sites of Chlorine atom in the X-Ray Structure of the Wlarb Tdp-Quinovose 3,4-Ketoisomerase From Campylobacter Jejuni (pdb code 5tpu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Structure of the Wlarb Tdp-Quinovose 3,4-Ketoisomerase From Campylobacter Jejuni, PDB code: 5tpu:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the X-Ray Structure of the Wlarb Tdp-Quinovose 3,4-Ketoisomerase From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of the Wlarb Tdp-Quinovose 3,4-Ketoisomerase From Campylobacter Jejuni within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl202 b:39.7 occ:1.00 O C:HOH354 2.5 20.5 1.0 O C:HOH337 2.7 17.8 1.0 N C:ASP117 3.2 22.4 1.0 NH1 C:ARG35 3.5 17.5 1.0 O C:ASP117 3.5 19.9 1.0 CD1 C:TYR116 3.8 23.1 1.0 NH2 C:ARG35 3.9 17.9 1.0 CA C:TYR116 3.9 18.8 1.0 C C:TYR116 4.0 21.4 1.0 C C:ASP117 4.0 22.3 1.0 CZ C:ARG35 4.0 17.0 1.0 CA C:ASP117 4.1 23.0 1.0 CD2 C:LEU56 4.1 21.4 1.0 CB C:ALA120 4.2 27.3 1.0 CE1 C:TYR121 4.2 38.0 1.0 O C:PHE115 4.3 15.9 1.0 CB C:ASP117 4.3 23.7 1.0 CE1 C:TYR116 4.3 21.4 1.0 CE1 C:HIS53 4.4 31.6 1.0 CG C:TYR116 4.6 21.2 1.0 CZ C:TYR121 4.8 35.2 1.0 ND1 C:HIS53 4.8 33.2 1.0 CB C:TYR116 4.8 20.0 1.0 OH C:TYR121 4.8 33.4 1.0 N C:TYR116 4.8 17.2 1.0 CD1 C:TYR121 4.8 37.1 1.0 C C:PHE115 4.9 18.7 1.0

Chlorine binding site 2 out of 2 in the X-Ray Structure of the Wlarb Tdp-Quinovose 3,4-Ketoisomerase From Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of the Wlarb Tdp-Quinovose 3,4-Ketoisomerase From Campylobacter Jejuni within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl202 b:31.0 occ:1.00 O D:HOH349 2.7 14.9 1.0 O D:HOH334 2.8 30.1 1.0 N D:ASP117 3.3 21.6 1.0 NH2 D:ARG35 3.3 16.5 1.0 O D:ASP117 3.7 21.1 1.0 CA D:TYR116 3.8 16.2 1.0 CE1 D:TYR121 3.9 29.8 1.0 CD1 D:TYR116 3.9 17.1 1.0 NH1 D:ARG35 3.9 17.7 1.0 CZ D:ARG35 4.0 15.5 1.0 C D:TYR116 4.0 19.5 1.0 CD2 D:LEU56 4.1 18.1 1.0 O D:PHE115 4.2 15.4 1.0 C D:ASP117 4.2 20.0 1.0 CA D:ASP117 4.2 19.9 1.0 CE1 D:HIS53 4.2 23.9 1.0 CB D:ASP117 4.4 23.2 1.0 CE1 D:TYR116 4.5 20.3 1.0 CG D:TYR116 4.5 18.4 1.0 CD1 D:TYR121 4.5 27.9 1.0 OH D:TYR121 4.6 22.6 1.0 CB D:TYR116 4.6 17.2 1.0 CB D:ALA120 4.6 27.1 1.0 ND1 D:HIS53 4.7 23.5 1.0 N D:TYR116 4.7 15.3 1.0 CZ D:TYR121 4.7 26.7 1.0 C D:PHE115 4.8 15.2 1.0 NE2 D:HIS53 4.9 26.8 1.0

Z.Z.Li, A.S.Riegert, M.F.Goneau, A.M.Cunningham, E.Vinogradov, J.Li, I.C.Schoenhofen, J.B.Thoden, H.M.Holden, M.Gilbert. Characterization of the Dtdp-FUC3N and Dtdp-QUI3N Biosynthetic Pathways in Campylobacter Jejuni 81116. Glycobiology V. 27 358 2017.
ISSN: ESSN 1460-2423
PubMed: 28096310
DOI: 10.1093/GLYCOB/CWW136