Potassium in PDB 8oyy: De Novo Designed Soluble Gpcr-Like Fold GLF_32

The structure of De Novo Designed Soluble Gpcr-Like Fold GLF_32, PDB code: 8oyy 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)	54.68 / 1.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.278, 56.783, 202.974, 90, 90, 90
R / Rfree (%)	19.4 / 23.8

The structure of De Novo Designed Soluble Gpcr-Like Fold GLF_32 also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Potassium atom in the De Novo Designed Soluble Gpcr-Like Fold GLF_32 (pdb code 8oyy). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the De Novo Designed Soluble Gpcr-Like Fold GLF_32, PDB code: 8oyy:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in the De Novo Designed Soluble Gpcr-Like Fold GLF_32


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 Soluble Gpcr-Like Fold GLF_32 within 5.0Å range: probe atom residue distance (Å) B Occ A:K301 b:57.5 occ:1.00 O A:ASP170 2.7 38.8 1.0 O A:ASP173 2.8 33.8 1.0 CE A:LYS177 2.9 71.0 1.0 CD A:LYS177 3.2 50.2 1.0 NZ A:LYS177 3.3 49.4 1.0 CG A:LYS177 3.3 32.6 1.0 CB A:ALA176 3.3 27.8 1.0 O A:PRO171 3.6 54.6 1.0 N A:ASP173 3.6 37.5 1.0 C A:PRO171 3.6 56.5 1.0 N A:LYS177 3.7 29.0 1.0 C A:ASP173 3.7 34.4 1.0 CA A:PRO171 3.7 62.7 1.0 C A:ASP170 3.8 52.3 1.0 CB A:ASP173 3.8 40.8 1.0 O A:ALA167 3.9 37.0 1.0 CA A:ASP173 3.9 36.1 1.0 CA A:ALA167 3.9 28.3 1.0 CB A:ALA167 4.0 28.2 1.0 C A:ALA176 4.1 30.4 1.0 CA A:ALA176 4.2 28.5 1.0 N A:PRO171 4.2 52.9 1.0 CA A:LYS177 4.3 30.6 1.0 CB A:LYS177 4.3 30.0 1.0 N A:ASP172 4.3 57.9 1.0 C A:ALA167 4.4 34.2 1.0 C A:ASP172 4.5 51.7 1.0 N A:ALA176 4.8 27.2 1.0 O A:ALA176 4.9 27.0 1.0 CA A:ASP172 4.9 51.1 1.0 N A:GLU174 5.0 34.2 1.0 CG A:ASP173 5.0 43.3 1.0

Potassium binding site 2 out of 4 in the De Novo Designed Soluble Gpcr-Like Fold GLF_32


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of De Novo Designed Soluble Gpcr-Like Fold GLF_32 within 5.0Å range: probe atom residue distance (Å) B Occ A:K302 b:61.9 occ:1.00 O A:ALA105 2.7 29.2 1.0 O A:HOH513 2.7 40.0 1.0 O A:ASP102 2.8 33.7 1.0 OE1 A:GLN98 2.9 37.4 1.0 O A:PRO103 3.3 49.5 1.0 N A:ALA105 3.4 31.8 1.0 C A:PRO103 3.5 38.3 1.0 C A:ALA105 3.5 34.0 1.0 CA A:ALA105 3.7 32.2 1.0 CB A:ALA105 3.7 36.1 1.0 CG A:GLN98 3.7 33.0 1.0 CD A:GLN98 3.7 38.1 1.0 O A:HOH502 3.7 47.6 1.0 CA A:PRO103 3.8 44.1 1.0 C A:ASP102 3.9 38.9 1.0 N A:ASN104 4.1 34.6 1.0 O A:HOH492 4.2 52.7 1.0 C A:ASN104 4.2 32.9 1.0 O A:GLN98 4.3 37.5 1.0 N A:PRO103 4.3 38.9 1.0 O A:PRO106 4.4 29.6 1.0 N A:PRO106 4.6 28.9 1.0 O A:HOH486 4.6 38.6 1.0 C A:GLN98 4.7 37.8 1.0 CA A:ASN104 4.7 36.8 1.0 OD1 A:ASP102 4.7 80.7 1.0 CA A:LYS99 4.8 36.0 1.0 C A:PRO106 4.9 35.3 1.0 N A:LYS99 4.9 32.0 1.0 CB A:GLN98 5.0 31.6 1.0 NE2 A:GLN98 5.0 28.7 1.0

Potassium binding site 3 out of 4 in the De Novo Designed Soluble Gpcr-Like Fold GLF_32


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of De Novo Designed Soluble Gpcr-Like Fold GLF_32 within 5.0Å range: probe atom residue distance (Å) B Occ A:K303 b:85.6 occ:1.00 OE2 A:GLU43 2.6 76.8 1.0 O A:HOH512 2.8 48.2 1.0 OE2 A:GLU120 3.0 42.4 1.0 O A:HOH508 3.0 52.8 1.0 CD A:GLU43 3.4 53.7 1.0 OE1 A:GLU43 3.6 59.5 1.0 O A:HOH525 3.6 49.1 1.0 CG A:GLU120 3.6 35.4 1.0 O A:HOH431 3.6 38.8 1.0 CD A:GLU120 3.7 53.1 1.0 OE1 A:GLU87 4.3 38.4 1.0 CG A:GLU43 4.6 33.2 1.0 CG A:ARG116 4.7 39.9 1.0 O A:HOH414 4.8 25.5 1.0 O A:HOH524 4.9 46.9 1.0 OE1 A:GLU120 5.0 45.6 1.0

Potassium binding site 4 out of 4 in the De Novo Designed Soluble Gpcr-Like Fold GLF_32


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of De Novo Designed Soluble Gpcr-Like Fold GLF_32 within 5.0Å range: probe atom residue distance (Å) B Occ B:K301 b:45.8 occ:0.58 OD1 B:ASN104 3.2 44.5 1.0 CB B:PRO103 3.6 50.6 1.0 O B:PRO103 4.3 52.8 1.0 CG B:ASN104 4.3 50.7 1.0 C B:PRO103 4.4 51.6 1.0 CG B:PRO103 4.6 51.8 1.0 CA B:PRO103 4.6 56.7 1.0 ND2 B:ASN104 4.8 46.6 1.0 N B:ASN104 4.9 46.1 1.0

C.A.Goverde, M.Pacesa, L.J.Dornfeld, S.Georgeon, S.Rosset, J.Dauparas, C.Schellhaas, S.Kozlov, D.Baker, S.Ovchinnikov, B.E.Correia. Computational Design of Soluble Analogues of Integral Membrane Protein Structures To Be Published.