Chlorine in PDB 3bl9: Synthetic Gene Encoded Dcps Bound to Inhibitor DG157493

The structure of Synthetic Gene Encoded Dcps Bound to Inhibitor DG157493, PDB code: 3bl9 was solved by B.L.Staker, J.Christensen, L.Stewart, Accelerated Technologies Centerfor Gene To 3D Structure (Atcg3D), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.13 / 1.80
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	49.406, 56.867, 59.504, 62.35, 77.93, 79.54
R / Rfree (%)	17.4 / 22.2

The binding sites of Chlorine atom in the Synthetic Gene Encoded Dcps Bound to Inhibitor DG157493 (pdb code 3bl9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Synthetic Gene Encoded Dcps Bound to Inhibitor DG157493, PDB code: 3bl9:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Synthetic Gene Encoded Dcps Bound to Inhibitor DG157493


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Synthetic Gene Encoded Dcps Bound to Inhibitor DG157493 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl901 b:32.2 occ:1.00 CL8 A:DD2901 0.0 32.2 1.0 C1 A:DD2901 1.8 30.6 1.0 C6 A:DD2901 2.8 29.7 1.0 C2 A:DD2901 2.8 29.1 1.0 C9 A:DD2901 3.1 28.6 1.0 CL7 A:DD2901 3.2 30.8 1.0 O A:HOH1050 3.7 34.7 1.0 N10 A:DD2901 3.8 25.0 1.0 O A:HOH956 3.9 28.1 1.0 C5 A:DD2901 4.1 29.8 1.0 C3 A:DD2901 4.1 29.5 1.0 C11 A:DD2901 4.1 24.5 1.0 CE2 A:TYR143 4.6 26.0 1.0 C4 A:DD2901 4.6 29.6 1.0 O A:HOH1046 4.8 29.7 1.0 C15 A:DD2901 4.8 23.1 1.0 CE2 A:PHE63 4.8 18.6 1.0 CZ A:PHE63 4.8 19.0 1.0 O A:HOH1081 4.9 29.0 1.0

Chlorine binding site 2 out of 2 in the Synthetic Gene Encoded Dcps Bound to Inhibitor DG157493


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Synthetic Gene Encoded Dcps Bound to Inhibitor DG157493 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl901 b:30.8 occ:1.00 CL7 A:DD2901 0.0 30.8 1.0 C6 A:DD2901 1.8 29.7 1.0 C1 A:DD2901 2.8 30.6 1.0 C5 A:DD2901 2.8 29.8 1.0 CL8 A:DD2901 3.2 32.2 1.0 NH1 A:ARG54 3.4 30.4 1.0 CE2 A:PHE63 3.5 18.6 1.0 CD2 A:TYR143 3.6 26.3 1.0 CZ A:ARG54 3.7 28.2 1.0 CZ A:PHE63 3.7 19.0 1.0 C4 A:DD2901 4.0 29.6 1.0 CE2 A:TYR143 4.1 26.0 1.0 NH2 A:ARG54 4.1 29.3 1.0 C2 A:DD2901 4.1 29.1 1.0 NE A:ARG54 4.2 26.4 1.0 CD2 A:PHE63 4.5 18.3 1.0 C3 A:DD2901 4.6 29.5 1.0 CD A:ARG54 4.6 24.2 1.0 CE1 A:PHE63 4.7 18.1 1.0 CA A:TYR143 4.8 26.4 1.0 CG A:TYR143 4.8 25.9 1.0 O A:LYS142 4.9 25.9 1.0

J.Singh, M.Salcius, S.W.Liu, B.L.Staker, R.Mishra, J.Thurmond, G.Michaud, D.R.Mattoon, J.Printen, J.Christensen, J.M.Bjornsson, B.A.Pollok, M.Kiledjian, L.Stewart, J.Jarecki, M.E.Gurney. Dcps As A Therapeutic Target For Spinal Muscular Atrophy. Acs Chem.Biol. V. 3 711 2008.
ISSN: ISSN 1554-8929
PubMed: 18839960
DOI: 10.1021/CB800120T