Chlorine in PDB 6wfi: Methylmalonyl-Coa Epimerase in Complex with 2-Nitronate-Propionyl-Coa

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

Resolution Low / High (Å)	25.86 / 1.37
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.837, 68.837, 103.370, 90.00, 90.00, 90.00
R / Rfree (%)	14.7 / 17.4

The structure of Methylmalonyl-Coa Epimerase 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 Methylmalonyl-Coa Epimerase in Complex with 2-Nitronate-Propionyl-Coa (pdb code 6wfi). 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 Methylmalonyl-Coa Epimerase in Complex with 2-Nitronate-Propionyl-Coa, PDB code: 6wfi:

Chlorine binding site 1 out of 1 in the Methylmalonyl-Coa Epimerase 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 Methylmalonyl-Coa Epimerase in Complex with 2-Nitronate-Propionyl-Coa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:27.9 occ:1.00 O A:HOH450 3.1 27.6 1.0 O A:HOH544 3.1 46.9 1.0 O A:HOH465 3.2 30.0 1.0 NH2 A:ARG113 3.3 26.5 1.0 N A:GLU37 3.3 20.6 1.0 O A:VAL35 3.4 18.8 1.0 O A:HOH363 3.9 25.6 1.0 CA A:ASN36 3.9 17.5 1.0 CB A:GLU37 4.0 22.6 0.5 C A:ASN36 4.1 19.1 1.0 CB A:GLU37 4.2 27.6 0.5 C A:VAL35 4.3 16.9 1.0 CA A:GLU37 4.3 21.0 0.5 CZ A:ARG113 4.3 22.9 1.0 CA A:GLU37 4.3 22.4 0.5 NH1 A:ARG113 4.4 23.9 1.0 O A:HOH529 4.5 47.8 1.0 N A:ASN36 4.5 16.8 1.0 CG A:GLU37 4.6 32.1 0.5 N A:GLU38 4.9 19.6 1.0 OD1 A:ASN36 5.0 19.3 1.0 CB A:ASN36 5.0 17.8 1.0

L.M.Stunkard, A.B.Benjamin, J.B.Bower, T.J.Huth, J.R.Lohman. Methylmalonyl-Coa Epimerase in Complex with 2-Nitronate-Propionyl-Coa To Be Published.