Chlorine in PDB 6xbs: Streptomyces Coelicolor Methylmalonyl-Coa Epimerase (E43Q) in Complex with 2-Nitronate-Propionyl-Coa

The structure of Streptomyces Coelicolor Methylmalonyl-Coa Epimerase (E43Q) in Complex with 2-Nitronate-Propionyl-Coa, PDB code: 6xbs was solved by L.M.Stunkard, T.J.Boram, A.B.Benjamin, J.B.Bower, J.R.Lohman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.46 / 1.50
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.682, 68.682, 103.214, 90.00, 90.00, 90.00
R / Rfree (%)	15.2 / 17.9

The structure of Streptomyces Coelicolor Methylmalonyl-Coa Epimerase (E43Q) in Complex with 2-Nitronate-Propionyl-Coa also contains other interesting chemical elements:

Cobalt

(Co)

1 atom

The binding sites of Chlorine atom in the Streptomyces Coelicolor Methylmalonyl-Coa Epimerase (E43Q) in Complex with 2-Nitronate-Propionyl-Coa (pdb code 6xbs). 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 Streptomyces Coelicolor Methylmalonyl-Coa Epimerase (E43Q) in Complex with 2-Nitronate-Propionyl-Coa, PDB code: 6xbs:

Chlorine binding site 1 out of 1 in the Streptomyces Coelicolor Methylmalonyl-Coa Epimerase (E43Q) in Complex with 2-Nitronate-Propionyl-Coa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Streptomyces Coelicolor Methylmalonyl-Coa Epimerase (E43Q) in Complex with 2-Nitronate-Propionyl-Coa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:38.6 occ:1.00 O A:HOH436 3.0 38.4 1.0 O A:HOH439 3.3 39.9 1.0 NH2 A:ARG113 3.3 36.8 1.0 N A:GLU37 3.3 29.0 1.0 CG A:GLU37 3.3 37.1 0.5 O A:VAL35 3.4 26.8 1.0 CB A:GLU37 3.9 31.9 0.5 CA A:ASN36 3.9 26.2 1.0 O A:HOH348 4.0 34.8 1.0 C A:ASN36 4.1 29.2 1.0 CB A:GLU37 4.2 36.6 0.5 CA A:GLU37 4.2 30.9 0.5 CD A:GLU37 4.2 45.6 0.5 C A:VAL35 4.3 23.3 1.0 CA A:GLU37 4.3 31.4 0.5 CZ A:ARG113 4.3 34.8 1.0 NH1 A:ARG113 4.4 32.9 1.0 N A:ASN36 4.5 25.5 1.0 OE1 A:GLU37 4.6 46.9 0.5 OD1 A:ASN36 4.9 37.4 1.0 N A:GLU38 5.0 30.8 1.0

L.M.Stunkard, T.J.Boram, A.B.Benjamin, J.B.Bower, J.R.Lohman. Streptomyces Coelicolor Methylmalonyl-Coa Epimerase (E43Q) in Complex with 2-Nitronate-Propionyl-Coa To Be Published.