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

Protein crystallography data

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

Other elements in 8oyy:

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

Potassium (K) 4 atoms

Chlorine Binding Sites:

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 8oyy

Go back to Chlorine Binding Sites List in 8oyy
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 8oyy

Go back to Chlorine Binding Sites List in 8oyy
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

Reference:

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.
Page generated: Tue Jul 30 11:22:17 2024

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