Chlorine in PDB 3lt9: A Non-Biological Atp Binding Protein with A Single Point Mutation (D65V), That Contributes to Optimized Folding and Ligand Binding

The structure of A Non-Biological Atp Binding Protein with A Single Point Mutation (D65V), That Contributes to Optimized Folding and Ligand Binding, PDB code: 3lt9 was solved by C.R.Simmons, C.L.Magee, J.P.Allen, J.C.Chaput, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.34 / 2.55
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	71.461, 71.461, 55.583, 90.00, 90.00, 120.00
R / Rfree (%)	17.8 / 23.9

The structure of A Non-Biological Atp Binding Protein with A Single Point Mutation (D65V), That Contributes to Optimized Folding and Ligand Binding also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the A Non-Biological Atp Binding Protein with A Single Point Mutation (D65V), That Contributes to Optimized Folding and Ligand Binding (pdb code 3lt9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the A Non-Biological Atp Binding Protein with A Single Point Mutation (D65V), That Contributes to Optimized Folding and Ligand Binding, PDB code: 3lt9:

Chlorine binding site 1 out of 1 in the A Non-Biological Atp Binding Protein with A Single Point Mutation (D65V), That Contributes to Optimized Folding and Ligand Binding


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of A Non-Biological Atp Binding Protein with A Single Point Mutation (D65V), That Contributes to Optimized Folding and Ligand Binding within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl85 b:30.4 occ:0.50 N A:LEU68 3.0 27.5 1.0 NZ A:LYS10 3.4 29.7 1.0 CB A:LEU68 3.7 28.4 1.0 CA A:TRP67 3.8 24.1 1.0 O A:LEU68 3.8 29.4 1.0 C A:TRP67 3.8 25.6 1.0 CA A:LEU68 3.8 28.7 1.0 CE3 A:TRP67 3.8 20.6 1.0 CB A:TRP67 4.2 23.0 1.0 C A:LEU68 4.3 29.5 1.0 CE A:LYS10 4.3 29.6 1.0 CD2 A:TRP67 4.6 21.7 1.0 CZ3 A:TRP67 4.7 20.0 1.0 CD A:LYS10 4.7 29.4 1.0 CG A:TRP67 4.8 22.1 1.0 O A:TRP67 4.9 25.4 1.0 CG A:LEU68 5.0 29.7 1.0 O A:ASP66 5.0 23.1 1.0

C.R.Simmons, C.L.Magee, D.A.Smith, L.Lauman, J.C.Chaput, J.P.Allen. Three-Dimensional Structures Reveal Multiple Adp/Atp Binding Modes For A Synthetic Class of Artificial Proteins. Biochemistry V. 49 8689 2010.
ISSN: ISSN 0006-2960
PubMed: 20822107
DOI: 10.1021/BI100398P