Chlorine in PDB 6sa6: Darpin-Armadillo Fusion A5

The structure of Darpin-Armadillo Fusion A5, PDB code: 6sa6 was solved by P.Ernst, A.Honegger, F.Van Der Valk, C.Ewald, P.R.E.Mittl, A.Pluckthun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.56 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.080, 51.560, 67.720, 90.00, 95.24, 90.00
R / Rfree (%)	18.2 / 20.1

The binding sites of Chlorine atom in the Darpin-Armadillo Fusion A5 (pdb code 6sa6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Darpin-Armadillo Fusion A5, PDB code: 6sa6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Darpin-Armadillo Fusion A5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Darpin-Armadillo Fusion A5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:28.7 occ:1.00 H A:ILE120 2.5 25.4 1.0 HB2 A:GLU119 2.6 38.3 1.0 H A:GLU119 2.7 24.9 1.0 HB3 A:HIS117 2.8 23.5 1.0 HG13 A:ILE120 2.8 22.4 1.0 HA A:HIS117 3.1 25.1 1.0 O A:HOH606 3.2 34.3 1.0 N A:GLU119 3.3 20.7 1.0 N A:ILE120 3.3 21.2 1.0 C A:HIS117 3.3 21.2 1.0 CA A:HIS117 3.5 20.9 1.0 CB A:GLU119 3.5 31.9 1.0 CB A:HIS117 3.5 19.6 1.0 N A:LEU118 3.6 22.7 1.0 H A:LEU118 3.7 27.2 1.0 CG1 A:ILE120 3.7 18.7 1.0 O A:HIS117 3.7 19.6 1.0 CA A:GLU119 3.8 23.6 1.0 HB A:ILE120 3.8 21.8 1.0 HD12 A:ILE120 3.8 24.0 1.0 HG3 A:GLU119 4.0 53.9 1.0 HD11 A:ILE120 4.0 24.0 1.0 C A:GLU119 4.0 22.4 1.0 CD1 A:ILE120 4.1 20.0 1.0 HB2 A:LEU85 4.1 26.4 1.0 CB A:ILE120 4.1 18.1 1.0 HB3 A:GLU119 4.1 38.3 1.0 HB2 A:HIS117 4.2 23.5 1.0 C A:LEU118 4.2 21.2 1.0 CG A:GLU119 4.3 44.9 1.0 CA A:ILE120 4.3 19.7 1.0 HG12 A:ILE120 4.4 22.4 1.0 HD22 A:LEU85 4.4 32.3 1.0 CG A:HIS117 4.4 21.2 1.0 HD13 A:LEU85 4.5 29.8 1.0 CA A:LEU118 4.5 22.5 1.0 ND1 A:HIS117 4.6 21.4 1.0 HA A:GLU119 4.7 28.3 1.0 O A:HOH658 4.8 51.0 1.0 HA A:ILE120 4.8 23.6 1.0 HA2 A:GLY83 4.8 25.1 1.0 H A:VAL121 4.9 24.7 1.0 N A:HIS117 4.9 23.3 1.0

Chlorine binding site 2 out of 2 in the Darpin-Armadillo Fusion A5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Darpin-Armadillo Fusion A5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:31.8 occ:1.00 HB3 A:HIS84 2.6 24.6 1.0 H A:ILE87 2.7 22.9 1.0 HB2 A:GLU86 2.7 37.0 1.0 H A:GLU86 2.8 22.7 1.0 HG13 A:ILE87 3.0 24.9 1.0 HA A:HIS84 3.1 24.0 1.0 O A:HOH622 3.2 32.7 1.0 N A:GLU86 3.3 18.9 1.0 CB A:HIS84 3.4 20.5 1.0 C A:HIS84 3.4 20.9 1.0 N A:ILE87 3.4 19.1 1.0 CA A:HIS84 3.5 20.0 1.0 HD2 A:HIS84 3.5 26.1 1.0 CB A:GLU86 3.6 30.8 1.0 N A:LEU85 3.6 21.6 1.0 H A:LEU85 3.6 25.9 1.0 O A:HOH720 3.7 34.7 1.0 HB A:ILE87 3.8 23.3 1.0 CG1 A:ILE87 3.8 20.7 1.0 O A:HIS84 3.8 20.3 1.0 HD12 A:ILE87 3.8 27.3 1.0 CA A:GLU86 3.9 20.5 1.0 HG3 A:GLU86 4.0 59.8 1.0 CG A:HIS84 4.0 20.8 1.0 HD11 A:ILE87 4.0 27.3 1.0 CD2 A:HIS84 4.0 21.8 1.0 C A:GLU86 4.1 19.8 1.0 CD1 A:ILE87 4.1 22.8 1.0 HB2 A:HIS84 4.2 24.6 1.0 CB A:ILE87 4.2 19.4 1.0 HB2 A:LEU52 4.2 26.9 1.0 C A:LEU85 4.2 18.7 1.0 HB3 A:GLU86 4.3 37.0 1.0 CG A:GLU86 4.4 49.9 1.0 CA A:ILE87 4.4 20.0 1.0 HD13 A:LEU52 4.5 31.2 1.0 CA A:LEU85 4.5 20.5 1.0 HG12 A:ILE87 4.6 24.9 1.0 HA2 A:GLY50 4.6 26.5 1.0 HD22 A:LEU52 4.7 31.8 1.0 HA A:GLU86 4.8 24.6 1.0 HB3 A:LEU85 4.9 26.4 1.0 O A:GLY50 4.9 20.8 1.0 HA A:ILE87 4.9 24.0 1.0 N A:HIS84 4.9 20.3 1.0

P.Ernst, A.Honegger, F.Van Der Valk, C.Ewald, P.R.E.Mittl, A.Pluckthun. Rigid Fusions of Designed Helical Repeat Binding Proteins Efficiently Protect A Binding Surface From Crystal Contacts. Sci Rep V. 9 16162 2019.
ISSN: ESSN 2045-2322
PubMed: 31700118
DOI: 10.1038/S41598-019-52121-9