Chlorine in PDB 3d6l: Crystal Structure of CJ0915, A Hexameric Hotdog Fold Thioesterase of Campylobacter Jejuni

The structure of Crystal Structure of CJ0915, A Hexameric Hotdog Fold Thioesterase of Campylobacter Jejuni, PDB code: 3d6l was solved by T.Yokoyama, H.J.Yeo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.28 / 2.59
Space group	P 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	103.018, 103.018, 103.018, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 26

The binding sites of Chlorine atom in the Crystal Structure of CJ0915, A Hexameric Hotdog Fold Thioesterase of Campylobacter Jejuni (pdb code 3d6l). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of CJ0915, A Hexameric Hotdog Fold Thioesterase of Campylobacter Jejuni, PDB code: 3d6l:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of CJ0915, A Hexameric Hotdog Fold Thioesterase of Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of CJ0915, A Hexameric Hotdog Fold Thioesterase of Campylobacter Jejuni within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:23.6 occ:1.00 ND2 A:ASN19 3.2 11.1 1.0 N A:GLY26 3.3 14.0 1.0 O A:HOH222 3.6 10.4 1.0 CD2 A:PHE25 3.8 12.6 1.0 O A:HOH218 4.0 22.6 1.0 CA A:GLY26 4.0 13.9 1.0 CG A:ASN19 4.2 11.8 1.0 CB A:ASN19 4.2 12.3 1.0 CA A:PHE25 4.2 13.7 1.0 C A:PHE25 4.2 13.8 1.0 CE2 A:PHE25 4.4 12.7 1.0 CL A:CL202 4.6 24.8 1.0 O A:ILE24 4.7 14.3 1.0 O A:HOH216 4.8 14.5 1.0 CG A:PHE25 4.9 13.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of CJ0915, A Hexameric Hotdog Fold Thioesterase of Campylobacter Jejuni


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of CJ0915, A Hexameric Hotdog Fold Thioesterase of Campylobacter Jejuni within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:24.8 occ:1.00 O A:HOH220 3.1 17.9 1.0 ND2 A:ASN23 3.3 14.2 1.0 ND2 A:ASN19 3.3 11.1 1.0 CB A:ASN23 4.0 15.0 1.0 CG A:ASN23 4.1 15.7 1.0 CG A:ASN19 4.3 11.8 1.0 OD1 A:ASN19 4.5 11.2 1.0 O A:HOH217 4.5 7.7 1.0 CL A:CL201 4.6 23.6 1.0 CB A:ALA21 4.7 13.2 1.0 O A:HOH209 4.7 15.7 1.0 O A:HOH216 5.0 14.5 1.0

T.Yokoyama, K.J.Choi, A.M.Bosch, H.J.Yeo. Structure and Function of A Campylobacter Jejuni Thioesterase CJ0915, A Hexameric Hot Dog Fold Enzyme. Biochim.Biophys.Acta V.1794 1073 2009.
ISSN: ISSN 0006-3002
PubMed: 19303060
DOI: 10.1016/J.BBAPAP.2009.03.002