Chlorine in PDB 3ltd: X-Ray Structure of A Non-Biological Atp Binding Protein Determined at 2.8 A By Multi-Wavelength Anomalous Dispersion

The structure of X-Ray Structure of A Non-Biological Atp Binding Protein Determined at 2.8 A By Multi-Wavelength Anomalous Dispersion, PDB code: 3ltd 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)	36.56 / 2.80
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	73.145, 73.145, 54.804, 90.00, 90.00, 120.00
R / Rfree (%)	18 / 21.8

The structure of X-Ray Structure of A Non-Biological Atp Binding Protein Determined at 2.8 A By Multi-Wavelength Anomalous Dispersion 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 at 2.8 A By Multi-Wavelength Anomalous Dispersion (pdb code 3ltd). 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 at 2.8 A By Multi-Wavelength Anomalous Dispersion, PDB code: 3ltd:

Chlorine binding site 1 out of 1 in the X-Ray Structure of A Non-Biological Atp Binding Protein Determined at 2.8 A By Multi-Wavelength Anomalous Dispersion


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 at 2.8 A By Multi-Wavelength Anomalous Dispersion within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl84 b:16.0 occ:0.50 NZ A:LYS10 3.2 25.3 1.0 N A:LEU68 3.5 22.3 1.0 CB A:LEU68 3.8 22.7 1.0 CE3 A:TRP67 3.9 23.0 1.0 CA A:LEU68 4.3 23.1 1.0 CA A:TRP67 4.3 22.1 1.0 C A:TRP67 4.4 22.0 1.0 O A:LEU68 4.5 25.0 1.0 CZ3 A:TRP67 4.5 22.9 1.0 CE A:LYS10 4.6 26.1 1.0 CB A:TRP67 4.8 21.7 1.0 CD2 A:TRP67 4.9 21.6 1.0 C A:LEU68 4.9 24.5 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