Calcium in PDB 4xqj: Crystal Structure of Agra Lyttr Domain in Complex with Promoters

The structure of Crystal Structure of Agra Lyttr Domain in Complex with Promoters, PDB code: 4xqj was solved by B.Gopal, K.Rajasree, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.02 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	91.030, 92.870, 45.150, 90.00, 98.59, 90.00
R / Rfree (%)	18.8 / 22.5

The binding sites of Calcium atom in the Crystal Structure of Agra Lyttr Domain in Complex with Promoters (pdb code 4xqj). 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 Agra Lyttr Domain in Complex with Promoters, PDB code: 4xqj:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Agra Lyttr Domain in Complex with Promoters


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 Agra Lyttr Domain in Complex with Promoters within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca101 b:33.8 occ:1.00 O F:HOH202 2.4 32.4 1.0 O E:HOH208 2.6 29.9 1.0 O E:HOH206 2.6 36.9 1.0 O F:HOH204 2.7 32.7 1.0 O E:HOH205 3.1 50.3 1.0 O D:EOH303 4.5 45.6 1.0 N3 E:DA11 4.5 31.6 1.0 C2 E:DA11 4.6 28.8 1.0 O4' E:DA12 4.6 26.8 1.0 N3 F:DA8 4.7 26.9 1.0 O E:HOH204 4.8 55.0 1.0 C5' F:DA9 4.8 29.1 1.0 O4' F:DA8 4.9 29.5 1.0 O2 F:DT7 4.9 30.7 1.0 C4' E:DA12 5.0 27.5 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Agra Lyttr Domain in Complex with Promoters


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 Agra Lyttr Domain in Complex with Promoters within 5.0Å range: probe atom residue distance (Å) B Occ F:Ca101 b:31.2 occ:1.00 OP2 F:DA9 2.4 28.4 1.0 O F:HOH206 2.5 37.2 1.0 P F:DA9 3.6 28.6 1.0 OP1 F:DA9 4.1 27.8 1.0 O3' F:DA8 4.4 26.9 1.0 C3' F:DA8 4.5 28.8 1.0 O5' F:DA9 4.7 28.4 1.0 C2' F:DA8 4.9 27.3 1.0

B.Gopal, K.Rajasree. Conformational Features of the Staphylococcus Aureus Agra-Promoter Interactions Rationalize Quorum-Sensing Triggered Gene Expression Biochem Biophys Rep 2016.
ISSN: ESSN 2405-5808
DOI: 10.1016/J.BBREP.2016.03.012