Cobalt 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:

Chlorine

(Cl)

1 atom

The binding sites of Cobalt 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 Cobalt atom.
In total only one binding site of Cobalt was determined in the Methylmalonyl-Coa Epimerase in Complex with 2-Nitronate-Propionyl-Coa, PDB code: 6wfi:

Cobalt 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 Cobalt with other atoms in the Co 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:Co201 b:13.8 occ:1.00 OE1 A:GLU134 2.0 16.1 0.5 OE1 A:GLN60 2.2 17.1 0.5 OS1 A:KFV206 2.2 16.5 1.0 NE2 A:HIS7 2.2 11.4 1.0 NE2 A:HIS84 2.2 12.0 1.0 OE1 A:GLU134 2.2 8.8 0.5 OS4 A:KFV206 2.2 18.1 1.0 OE1 A:GLN60 2.3 10.3 0.5 CD A:GLU134 3.0 12.8 0.5 CE1 A:HIS84 3.1 11.8 1.0 CE1 A:HIS7 3.1 12.0 1.0 CS1 A:KFV206 3.2 17.4 1.0 CD A:GLN60 3.2 10.9 0.5 NS4 A:KFV206 3.2 20.3 1.0 CD A:GLN60 3.2 16.5 0.5 CD2 A:HIS7 3.2 10.7 1.0 CD A:GLU134 3.2 10.4 0.5 CD2 A:HIS84 3.3 10.9 1.0 OE2 A:GLU134 3.3 16.6 0.5 NE2 A:GLN60 3.4 11.4 0.5 CS2 A:KFV206 3.6 19.9 1.0 OE2 A:GLU134 3.6 11.1 0.5 NE2 A:GLN60 3.6 19.5 0.5 OS5 A:KFV206 4.3 24.7 1.0 ND1 A:HIS84 4.3 12.3 1.0 ND1 A:HIS7 4.3 11.5 1.0 CG A:GLU134 4.3 12.8 0.5 CG A:HIS7 4.4 10.6 1.0 CG A:HIS84 4.4 10.9 1.0 CG A:GLN60 4.5 14.2 0.5 CG A:GLN60 4.6 10.5 0.5 CG A:GLU134 4.6 10.5 0.5 CB A:GLU134 4.7 12.0 0.5 S A:KFV206 4.8 19.6 1.0 CP1 A:KFV206 4.8 17.0 1.0 O A:HOH463 4.8 19.8 1.0 CB A:GLU134 4.8 10.1 0.5 CB A:ALA86 4.8 10.8 1.0 CZ A:PHE122 4.8 13.9 1.0 CE1 A:PHE122 4.8 14.7 1.0 CB A:GLN60 4.9 12.2 0.5 CB A:GLN60 5.0 10.0 0.5

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.