Chlorine in PDB 3o4c: Crystal Structure of Symfoil-4V: De Novo Designed Beta-Trefoil Architecture with Symmetric Primary Structure

The structure of Crystal Structure of Symfoil-4V: De Novo Designed Beta-Trefoil Architecture with Symmetric Primary Structure, PDB code: 3o4c was solved by J.Lee, M.Blaber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.51 / 1.75
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	50.836, 53.746, 85.550, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 22.4

The binding sites of Chlorine atom in the Crystal Structure of Symfoil-4V: De Novo Designed Beta-Trefoil Architecture with Symmetric Primary Structure (pdb code 3o4c). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Symfoil-4V: De Novo Designed Beta-Trefoil Architecture with Symmetric Primary Structure, PDB code: 3o4c:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Symfoil-4V: De Novo Designed Beta-Trefoil Architecture with Symmetric Primary Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Symfoil-4V: De Novo Designed Beta-Trefoil Architecture with Symmetric Primary Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl143 b:44.3 occ:1.00 N A:ASP114 3.1 21.5 1.0 CD A:PRO113 3.2 25.9 1.0 CG A:ASP114 3.3 31.9 1.0 CB A:ASP114 3.5 25.1 1.0 OD1 A:ASP114 3.5 26.2 1.0 N A:PRO113 3.6 24.4 1.0 OD2 A:ASP114 3.6 27.0 1.0 CB A:ASN112 3.7 22.8 1.0 CA A:ASP114 3.9 22.4 1.0 CG A:PRO113 4.0 27.4 1.0 CB A:PRO113 4.0 24.8 1.0 C A:PRO113 4.0 22.5 1.0 CA A:PRO113 4.1 26.9 1.0 C A:ASN112 4.2 17.7 1.0 CA A:ASN112 4.5 20.6 1.0 CG A:ASN112 4.7 21.9 1.0 O A:ASN112 4.9 21.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Symfoil-4V: De Novo Designed Beta-Trefoil Architecture with Symmetric Primary Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Symfoil-4V: De Novo Designed Beta-Trefoil Architecture with Symmetric Primary Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl144 b:45.8 occ:1.00 CG A:ASP28 3.3 27.4 1.0 CG A:PRO27 3.4 25.4 0.5 N A:ASP28 3.4 25.5 1.0 CB A:ASP28 3.5 26.1 1.0 CD A:PRO27 3.5 26.9 0.5 OD1 A:ASP28 3.6 26.4 1.0 CB A:ASN26 3.6 23.8 1.0 OD2 A:ASP28 3.6 34.2 1.0 CD A:PRO27 3.6 26.8 0.5 N A:PRO27 3.8 25.3 1.0 CA A:ASP28 4.0 27.2 1.0 C A:PRO27 4.3 25.4 1.0 CB A:PRO27 4.3 27.9 0.5 C A:ASN26 4.3 19.9 1.0 CG A:PRO27 4.3 26.5 0.5 CB A:PRO27 4.4 27.9 0.5 CA A:PRO27 4.4 24.5 0.5 O A:HOH185 4.4 33.5 1.0 CA A:PRO27 4.4 24.5 0.5 CA A:ASN26 4.5 22.3 1.0 CG A:ASN26 4.5 23.8 1.0 OD1 A:ASN26 4.9 27.8 1.0

J.Lee, M.Blaber. Experimental Support For the Evolution of Symmetric Protein Architecture From A Simple Peptide Motif. Proc.Natl.Acad.Sci.Usa V. 108 126 2011.
ISSN: ISSN 0027-8424
PubMed: 21173271
DOI: 10.1073/PNAS.1015032108