Potassium in PDB 6n95: Methylmalonyl-Coa Decarboxylase in Complex with 2-Sulfonate-Propionyl- Coa

The structure of Methylmalonyl-Coa Decarboxylase in Complex with 2-Sulfonate-Propionyl- Coa, PDB code: 6n95 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)	20.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	86.927, 114.421, 193.430, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 19.2

The structure of Methylmalonyl-Coa Decarboxylase in Complex with 2-Sulfonate-Propionyl- 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-Sulfonate-Propionyl- Coa (pdb code 6n95). 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-Sulfonate-Propionyl- Coa, PDB code: 6n95:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the Methylmalonyl-Coa Decarboxylase in Complex with 2-Sulfonate-Propionyl- 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-Sulfonate-Propionyl- Coa within 5.0Å range: probe atom residue distance (Å) B Occ C:K303 b:41.3 occ:1.00 OE1 C:GLN38 2.7 28.5 1.0 O C:HOH518 2.8 53.8 1.0 O C:HOH606 2.9 47.7 1.0 O3 C:PG4304 2.9 45.1 1.0 O4 C:PG4304 3.0 45.6 1.0 O1 C:PG4304 3.3 50.1 1.0 O5 C:PG4304 3.4 49.2 1.0 O2 C:PG4304 3.5 43.9 1.0 C6 C:PG4304 3.7 42.2 1.0 CD C:GLN38 3.7 24.4 1.0 C2 C:PG4304 3.7 40.4 1.0 C7 C:PG4304 3.8 46.5 1.0 C5 C:PG4304 3.8 44.3 1.0 C4 C:PG4304 3.9 43.5 1.0 C1 C:PG4304 4.0 43.8 1.0 NE2 C:GLN38 4.0 23.1 1.0 C3 C:PG4304 4.0 41.9 1.0 C8 C:PG4304 4.1 47.7 1.0 O C:HOH461 4.2 41.4 1.0

Potassium binding site 2 out of 2 in the Methylmalonyl-Coa Decarboxylase in Complex with 2-Sulfonate-Propionyl- 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-Sulfonate-Propionyl- Coa within 5.0Å range: probe atom residue distance (Å) B Occ F:K303 b:44.5 occ:1.00 O3 F:PGE304 2.8 59.4 1.0 O F:HOH535 2.9 51.7 1.0 O F:HOH623 2.9 39.0 1.0 O2 F:PGE304 3.0 62.0 1.0 O1 F:PGE304 3.0 61.3 1.0 O F:HOH406 3.1 49.7 1.0 O4 F:PGE304 3.1 49.6 1.0 O F:HOH647 3.2 52.9 1.0 C4 F:PGE304 3.6 54.2 1.0 C2 F:PGE304 3.6 61.1 1.0 C3 F:PGE304 3.6 52.1 1.0 C5 F:PGE304 3.8 50.4 1.0 C1 F:PGE304 3.8 61.6 1.0 C6 F:PGE304 4.0 49.4 1.0 O D:HOH577 4.6 35.0 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