Chlorine in PDB 4v2p: Ketosynthase Mxnb

The structure of Ketosynthase Mxnb, PDB code: 4v2p was solved by J.Koehnke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.05 / 1.67
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	50.190, 58.790, 62.820, 104.75, 105.48, 93.90
R / Rfree (%)	14.6 / 17.7

The structure of Ketosynthase Mxnb also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Ketosynthase Mxnb (pdb code 4v2p). 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 Ketosynthase Mxnb, PDB code: 4v2p:

Chlorine binding site 1 out of 1 in the Ketosynthase Mxnb


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ketosynthase Mxnb within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1341 b:37.4 occ:1.00 O A:HOH2257 2.8 27.4 1.0 ND1 A:HIS190 2.9 15.6 1.0 NH2 B:ARG139 3.2 27.7 1.0 O A:SER189 3.6 13.2 1.0 CE1 A:HIS190 3.6 15.7 1.0 O A:HOH2255 3.6 38.4 1.0 NE2 A:GLN249 3.9 18.8 1.0 NE B:ARG139 4.0 29.3 1.0 CG A:HIS190 4.0 12.8 1.0 CA A:HIS190 4.0 10.8 1.0 CZ B:ARG139 4.1 26.6 1.0 CB A:HIS190 4.4 11.1 1.0 NH2 A:ARG192 4.5 23.2 1.0 C A:SER189 4.5 12.1 1.0 O A:HOH2306 4.5 36.7 1.0 N A:LEU191 4.6 11.4 1.0 OH B:TYR140 4.7 22.9 1.0 N A:HIS190 4.8 9.5 1.0 NE2 A:HIS190 4.8 17.1 1.0 C A:HIS190 4.9 11.1 1.0 CD A:GLN249 5.0 18.3 1.0

H.Sucipto, J.H.Sahner, E.Prusov, S.C.Wenzel, R.W.Hartmann, J.Koehnke, R.Muller. In Vitro Reconstitution of Alpha-Pyrone Ring Formation in Myxopyronin Biosynthesis. Chem Sci V. 6 5076 2015.
ISSN: ISSN 2041-6520
PubMed: 29308173
DOI: 10.1039/C5SC01013F