Potassium in PDB 6n94: Methylmalonyl-Coa Decarboxylase in Complex with 2-Nitronate-Propionyl- Amino(Dethia)-Coa

The structure of Methylmalonyl-Coa Decarboxylase in Complex with 2-Nitronate-Propionyl- Amino(Dethia)-Coa, PDB code: 6n94 was solved by L.M.Stunkard, A.D.Dixon, 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)	29.29 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	87.046, 114.816, 193.732, 90.00, 90.00, 90.00
R / Rfree (%)	14.6 / 17.8

The structure of Methylmalonyl-Coa Decarboxylase in Complex with 2-Nitronate-Propionyl- Amino(Dethia)-Coa also contains other interesting chemical elements:

Nickel

(Ni)

2 atoms

The binding sites of Potassium atom in the Methylmalonyl-Coa Decarboxylase in Complex with 2-Nitronate-Propionyl- Amino(Dethia)-Coa (pdb code 6n94). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the Methylmalonyl-Coa Decarboxylase in Complex with 2-Nitronate-Propionyl- Amino(Dethia)-Coa, PDB code: 6n94:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the Methylmalonyl-Coa Decarboxylase in Complex with 2-Nitronate-Propionyl- Amino(Dethia)-Coa


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Methylmalonyl-Coa Decarboxylase in Complex with 2-Nitronate-Propionyl- Amino(Dethia)-Coa within 5.0Å range: probe atom residue distance (Å) B Occ C:K303 b:40.4 occ:1.00 OE1 C:GLN38 2.7 23.5 1.0 O C:HOH629 2.8 45.2 1.0 O3 C:PG4305 3.0 44.1 1.0 O4 C:PG4305 3.1 48.2 1.0 O1 C:PG4305 3.2 51.5 1.0 O5 C:PG4305 3.3 50.4 1.0 O2 C:PG4305 3.7 45.5 1.0 C7 C:PG4305 3.7 45.9 1.0 C2 C:PG4305 3.7 41.5 1.0 CD C:GLN38 3.7 21.9 1.0 C6 C:PG4305 3.8 43.5 1.0 C4 C:PG4305 3.9 44.1 1.0 C5 C:PG4305 3.9 43.8 1.0 C8 C:PG4305 4.0 49.2 1.0 C1 C:PG4305 4.0 42.4 1.0 C3 C:PG4305 4.1 40.3 1.0 NE2 C:GLN38 4.1 20.3 1.0 O C:HOH537 4.2 33.3 1.0

Potassium binding site 2 out of 2 in the Methylmalonyl-Coa Decarboxylase in Complex with 2-Nitronate-Propionyl- Amino(Dethia)-Coa


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Methylmalonyl-Coa Decarboxylase in Complex with 2-Nitronate-Propionyl- Amino(Dethia)-Coa within 5.0Å range: probe atom residue distance (Å) B Occ F:K303 b:44.3 occ:1.00 O F:HOH406 2.9 41.3 1.0 O2 F:PGE304 3.0 62.4 1.0 O3 F:PGE304 3.0 54.1 1.0 O F:HOH610 3.0 53.1 1.0 O1 F:PGE304 3.0 60.5 1.0 O4 F:PGE304 3.4 59.6 1.0 C2 F:PGE304 3.7 61.8 1.0 C4 F:PGE304 3.7 52.5 1.0 OE1 F:GLN193 3.7 33.3 0.5 C3 F:PGE304 3.8 53.7 1.0 O F:HOH409 3.8 42.5 1.0 C1 F:PGE304 3.9 58.2 1.0 C5 F:PGE304 3.9 56.2 1.0 NE2 F:GLN193 4.1 29.7 0.5 CD F:GLN193 4.2 29.6 0.5 C6 F:PGE304 4.2 58.2 1.0 O D:HOH588 4.5 28.7 1.0

L.M.Stunkard, A.D.Dixon, T.J.Huth, J.R.Lohman. Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-Coa Decarboxylase Structure-Function Studies. J. Am. Chem. Soc. V. 141 5121 2019.
ISSN: ESSN 1520-5126
PubMed: 30869886
DOI: 10.1021/JACS.9B00650