Potassium in PDB 9hag: De Novo Designed Beta Barrel Fold Bbf-14

The structure of De Novo Designed Beta Barrel Fold Bbf-14, PDB code: 9hag was solved by M.Pacesa, B.E.Correia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.51 / 1.86
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	35.14, 51.28, 70.72, 90, 90, 90
R / Rfree (%)	21.5 / 22.9

The binding sites of Potassium atom in the De Novo Designed Beta Barrel Fold Bbf-14 (pdb code 9hag). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total only one binding site of Potassium was determined in the De Novo Designed Beta Barrel Fold Bbf-14, PDB code: 9hag:

Potassium binding site 1 out of 1 in the De Novo Designed Beta Barrel Fold Bbf-14


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of De Novo Designed Beta Barrel Fold Bbf-14 within 5.0Å range: probe atom residue distance (Å) B Occ A:K202 b:73.3 occ:1.00 O A:HOH360 2.4 62.4 1.0 HB3 A:ASP75 3.0 69.3 1.0 H A:ASP75 3.0 62.2 1.0 HD2 A:PRO74 3.1 54.8 1.0 HB3 A:TYR73 3.1 55.7 1.0 CG A:ASP75 3.2 59.4 1.0 OD2 A:ASP75 3.4 63.9 1.0 OD1 A:ASP75 3.5 52.9 1.0 CB A:ASP75 3.5 57.7 1.0 N A:ASP75 3.7 51.8 1.0 HB2 A:PRO74 3.7 60.1 1.0 CD A:PRO74 3.9 45.6 1.0 CB A:TYR73 4.0 46.4 1.0 N A:PRO74 4.2 48.5 1.0 HB2 A:TYR73 4.2 55.7 1.0 HG2 A:PRO74 4.2 55.9 1.0 CA A:ASP75 4.2 57.0 1.0 HD2 A:TYR73 4.3 60.1 1.0 HB2 A:ASP75 4.4 69.3 1.0 CB A:PRO74 4.4 50.0 1.0 CG A:PRO74 4.4 46.5 1.0 C A:PRO74 4.5 50.4 1.0 CA A:PRO74 4.6 48.6 1.0 HD3 A:PRO74 4.7 54.8 1.0 C A:TYR73 4.7 48.1 1.0 HD23 A:LEU53 4.7 85.6 1.0 HA A:ASP75 4.7 68.4 1.0 HG1 A:THR77 4.8 69.6 1.0 CD2 A:TYR73 4.8 50.1 1.0 CG A:TYR73 4.8 44.9 1.0 CA A:TYR73 5.0 43.4 1.0

M.Pacesa, C.A.Goverde, C.Schellhaas, S.Georgeon, B.E.Correia. Structural Characterization of A Designed Beta Barrel Protein with A Hydrophobic Pore To Be Published.