Chlorine in PDB 3ltb: X-Ray Structure of A Non-Biological Atp Binding Protein Determined in the Presence of 10 Mm Atp at 2.6 A After 3 Weeks of Incubation

The structure of X-Ray Structure of A Non-Biological Atp Binding Protein Determined in the Presence of 10 Mm Atp at 2.6 A After 3 Weeks of Incubation, PDB code: 3ltb 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)	20.63 / 2.60
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	72.255, 72.255, 54.880, 90.00, 90.00, 120.00
R / Rfree (%)	18.3 / 24

The structure of X-Ray Structure of A Non-Biological Atp Binding Protein Determined in the Presence of 10 Mm Atp at 2.6 A After 3 Weeks of Incubation also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the X-Ray Structure of A Non-Biological Atp Binding Protein Determined in the Presence of 10 Mm Atp at 2.6 A After 3 Weeks of Incubation (pdb code 3ltb). 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 X-Ray Structure of A Non-Biological Atp Binding Protein Determined in the Presence of 10 Mm Atp at 2.6 A After 3 Weeks of Incubation, PDB code: 3ltb:

Chlorine binding site 1 out of 1 in the X-Ray Structure of A Non-Biological Atp Binding Protein Determined in the Presence of 10 Mm Atp at 2.6 A After 3 Weeks of Incubation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of A Non-Biological Atp Binding Protein Determined in the Presence of 10 Mm Atp at 2.6 A After 3 Weeks of Incubation within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl85 b:15.1 occ:0.50 N A:LEU68 2.9 21.7 1.0 NZ A:LYS10 3.3 20.7 1.0 O A:LEU68 3.6 24.2 1.0 CA A:TRP67 3.7 19.7 1.0 C A:TRP67 3.7 20.7 1.0 CB A:LEU68 3.8 22.9 1.0 CE3 A:TRP67 3.8 17.3 1.0 CA A:LEU68 3.8 23.1 1.0 C A:LEU68 4.2 24.1 1.0 CB A:TRP67 4.2 19.1 1.0 CE A:LYS10 4.2 21.5 1.0 CD2 A:TRP67 4.6 16.6 1.0 CZ3 A:TRP67 4.6 15.2 1.0 CD A:LYS10 4.7 22.5 1.0 CG A:TRP67 4.8 17.7 1.0 O A:TRP67 4.8 21.5 1.0 O A:ASP66 4.9 17.9 1.0 N A:TRP67 5.0 18.8 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