Chlorine 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:

Potassium

(K)

4 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine where determined in the De Novo Designed Soluble Gpcr-Like Fold GLF_32, PDB code: 8oyy:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the De Novo Designed Soluble Gpcr-Like Fold GLF_32


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl304 b:53.5 occ:1.00 CB A:ASP102 3.1 61.8 1.0 CA A:ASP102 3.5 50.2 1.0 O A:HOH466 3.5 41.9 1.0 N A:ASN104 3.6 34.6 1.0 CB A:ASN104 3.7 38.7 1.0 C A:ASP102 3.7 38.9 1.0 CA A:ASN104 4.0 36.8 1.0 N A:ALA105 4.0 31.8 1.0 O A:ASP102 4.0 33.7 1.0 ND2 A:ASN104 4.1 43.2 1.0 N A:PRO103 4.2 38.9 1.0 C A:ASN104 4.2 32.9 1.0 CG A:ASN104 4.3 43.8 1.0 CG A:ASP102 4.3 56.5 1.0 CD A:PRO103 4.5 47.3 1.0 OD2 A:ASP102 4.6 77.2 1.0 C A:PRO103 4.7 38.3 1.0 CA A:ALA105 4.9 32.2 1.0 N A:ASP102 4.9 40.5 1.0 CB A:ALA105 4.9 36.1 1.0

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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 B:Cl302 b:46.4 occ:1.00 O B:HOH430 3.1 46.2 1.0 N B:ASN104 3.4 46.1 1.0 CA B:ASP102 3.5 63.1 1.0 CB B:ASP102 3.5 66.1 1.0 C B:ASP102 3.6 50.4 1.0 CB B:ASN104 3.7 45.5 1.0 N B:PRO103 3.8 49.0 1.0 N B:ALA105 3.9 48.3 1.0 CA B:ASN104 3.9 45.5 1.0 OD1 B:ASP102 4.0 84.8 1.0 CD B:PRO103 4.0 49.2 1.0 O B:ASP102 4.0 50.1 1.0 C B:ASN104 4.2 46.8 1.0 CG B:ASP102 4.2 66.3 1.0 ND2 B:ASN104 4.3 46.6 1.0 CG B:ASN104 4.3 50.7 1.0 C B:PRO103 4.5 51.6 1.0 CA B:PRO103 4.7 56.7 1.0 CB B:ALA105 4.7 59.9 1.0 CA B:ALA105 4.8 49.7 1.0 N B:ASP102 4.9 54.4 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.