Calcium in PDB 3u3w: Crystal Structure of Bacillus Thuringiensis Plcr in Complex with the Peptide PAPR7 and Dna

The structure of Crystal Structure of Bacillus Thuringiensis Plcr in Complex with the Peptide PAPR7 and Dna, PDB code: 3u3w was solved by R.Grenha, L.Slamti, L.Bouillaut, D.Lereclus, S.Nessler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.19 / 2.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	88.880, 71.088, 88.853, 90.00, 115.53, 90.00
R / Rfree (%)	17.9 / 23.5

The binding sites of Calcium atom in the Crystal Structure of Bacillus Thuringiensis Plcr in Complex with the Peptide PAPR7 and Dna (pdb code 3u3w). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Bacillus Thuringiensis Plcr in Complex with the Peptide PAPR7 and Dna, PDB code: 3u3w:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Bacillus Thuringiensis Plcr in Complex with the Peptide PAPR7 and Dna


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Bacillus Thuringiensis Plcr in Complex with the Peptide PAPR7 and Dna within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1002 b:77.3 occ:1.00 O A:HOH385 2.7 50.5 1.0 O Z:HOH156 2.7 60.6 1.0 OP2 Z:DT11 2.8 55.6 1.0 O A:ALA41 3.1 69.9 1.0 P Z:DT11 3.9 52.9 1.0 C A:ALA41 4.0 56.0 1.0 OP1 Z:DT11 4.3 54.7 1.0 C3' Z:DA10 4.3 44.3 1.0 O3' Z:DA10 4.4 46.0 1.0 N A:VAL42 4.6 47.2 1.0 CA A:VAL42 4.7 48.1 1.0 C2' Z:DA10 4.8 43.5 1.0 CA A:ALA41 4.9 47.1 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Bacillus Thuringiensis Plcr in Complex with the Peptide PAPR7 and Dna


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Bacillus Thuringiensis Plcr in Complex with the Peptide PAPR7 and Dna within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1001 b:71.0 occ:1.00 O B:HOH405 2.7 56.4 1.0 O B:HOH324 2.7 48.6 1.0 O B:ALA41 2.8 60.2 1.0 OP2 Y:DT11 2.8 48.1 1.0 P Y:DT11 3.8 52.7 1.0 C B:ALA41 3.9 56.5 1.0 OP1 Y:DT11 4.2 45.9 1.0 C3' Y:DA10 4.3 40.9 1.0 O3' Y:DA10 4.3 41.6 1.0 CA B:VAL42 4.5 49.7 1.0 N B:VAL42 4.6 47.4 1.0 C2' Y:DA10 4.8 46.4 1.0 CA B:ALA41 4.9 52.3 1.0

R.Grenha, L.Slamti, M.Nicaise, Y.Refes, D.Lereclus, S.Nessler. Structural Basis For the Activation Mechanism of the Plcr Virulence Regulator By the Quorum-Sensing Signal Peptide Papr. Proc.Natl.Acad.Sci.Usa V. 110 1047 2013.
ISSN: ISSN 0027-8424
PubMed: 23277548
DOI: 10.1073/PNAS.1213770110