Chlorine in PDB 5k1z: Joint X-Ray/Neutron Structure of Mtan Complex with P-Clph-Thio-Dadme- Imma

All present enzymatic activity of Joint X-Ray/Neutron Structure of Mtan Complex with P-Clph-Thio-Dadme- Imma:
3.2.2.30; 3.2.2.9;

The structure of Joint X-Ray/Neutron Structure of Mtan Complex with P-Clph-Thio-Dadme- Imma, PDB code: 5k1z was solved by M.T.Banco, A.Y.Kovalevsky, D.R.Ronning, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 2.60
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	83.189, 83.189, 67.633, 90.00, 90.00, 120.00
R / Rfree (%)	20.5 / 25.8

The binding sites of Chlorine atom in the Joint X-Ray/Neutron Structure of Mtan Complex with P-Clph-Thio-Dadme- Imma (pdb code 5k1z). 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 Joint X-Ray/Neutron Structure of Mtan Complex with P-Clph-Thio-Dadme- Imma, PDB code: 5k1z:

Chlorine binding site 1 out of 1 in the Joint X-Ray/Neutron Structure of Mtan Complex with P-Clph-Thio-Dadme- Imma


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Joint X-Ray/Neutron Structure of Mtan Complex with P-Clph-Thio-Dadme- Imma within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:44.2 occ:1.00 CL1 A:4CT301 0.0 44.2 1.0 C11 A:4CT301 1.7 47.8 1.0 C9' A:4CT301 2.7 48.6 1.0 H9' A:4CT301 2.7 47.6 1.0 C13 A:4CT301 2.8 48.0 1.0 H13 A:4CT301 3.0 48.6 1.0 C8' A:4CT301 4.0 47.9 1.0 C14 A:4CT301 4.1 46.6 1.0 C7' A:4CT301 4.5 46.6 1.0 H8' A:4CT301 4.7 47.3 1.0 H14 A:4CT301 4.8 47.0 1.0

M.T.Banco, V.Mishra, A.Ostermann, T.E.Schrader, G.B.Evans, A.Kovalevsky, D.R.Ronning. Neutron Structures of the Helicobacter Pylori 5'-Methylthioadenosine Nucleosidase Highlight Proton Sharing and Protonation States. Proc. Natl. Acad. Sci. V. 113 13756 2016U.S.A..
ISSN: ESSN 1091-6490
PubMed: 27856757
DOI: 10.1073/PNAS.1609718113