Chlorine in PDB 8ajp: Crystal Structure of Halogen Methyl Transferase From Paraburkholderia Xenovorans at 1.8 A in Complex with Sah

The structure of Crystal Structure of Halogen Methyl Transferase From Paraburkholderia Xenovorans at 1.8 A in Complex with Sah, PDB code: 8ajp was solved by F.Leisinger, F.P.Seebeck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.86 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	63.925, 90.814, 74.866, 90, 90, 90
R / Rfree (%)	18.1 / 20

The binding sites of Chlorine atom in the Crystal Structure of Halogen Methyl Transferase From Paraburkholderia Xenovorans at 1.8 A in Complex with Sah (pdb code 8ajp). 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 Crystal Structure of Halogen Methyl Transferase From Paraburkholderia Xenovorans at 1.8 A in Complex with Sah, PDB code: 8ajp:

Chlorine binding site 1 out of 1 in the Crystal Structure of Halogen Methyl Transferase From Paraburkholderia Xenovorans at 1.8 A in Complex with Sah


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 Halogen Methyl Transferase From Paraburkholderia Xenovorans at 1.8 A in Complex with Sah within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:43.8 occ:1.00 O A:ALA124 2.7 19.7 1.0 O A:HOH505 2.8 37.4 1.0 SD A:SAH301 3.4 19.6 1.0 CB A:ALA124 3.6 18.3 1.0 HG1 A:SAH301 3.6 25.5 1.0 H5'2 A:SAH301 3.6 21.1 1.0 C A:ALA124 3.7 17.7 1.0 H5'1 A:SAH301 3.7 21.1 1.0 C5' A:SAH301 3.8 17.6 1.0 CB A:ALA128 3.8 17.4 1.0 CG A:SAH301 3.9 21.3 1.0 HG2 A:SAH301 3.9 25.5 1.0 SG A:CYS127 4.0 21.0 1.0 CA A:ALA124 4.0 18.6 1.0 CB A:TRP36 4.1 23.9 1.0 CA A:ALA128 4.2 19.4 1.0 CH2 A:TRP25 4.2 18.5 1.0 N A:ALA128 4.3 18.5 1.0 CG A:TRP36 4.3 22.6 1.0 CZ3 A:TRP25 4.4 22.1 1.0 CD2 A:TRP36 4.4 23.9 1.0 CE3 A:TRP36 4.5 25.2 1.0 C A:CYS127 4.7 18.3 1.0 N A:PHE125 4.9 16.8 1.0 O A:CYS127 4.9 18.3 1.0 CD1 A:TRP36 5.0 23.7 1.0

X.Wen, F.Leisinger, V.Leopold, F.P.Seebeck. Synthetic Reagents For Enzyme-Catalyzed Methylation. Angew.Chem.Int.Ed.Engl. V. 61 08746 2022.
ISSN: ESSN 1521-3773
PubMed: 35989225
DOI: 10.1002/ANIE.202208746