Calcium in PDB 4qpj: 2.7 Angstrom Structure of A Phosphotransferase in Complex with A Receiver Domain

The structure of 2.7 Angstrom Structure of A Phosphotransferase in Complex with A Receiver Domain, PDB code: 4qpj was solved by J.W.Willett, J.Herrou, S.Crosson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	17.88 / 2.74
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	124.951, 124.951, 136.332, 90.00, 90.00, 120.00
R / Rfree (%)	17.5 / 22.2

The structure of 2.7 Angstrom Structure of A Phosphotransferase in Complex with A Receiver Domain also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Chlorine	(Cl)	1 atom
Sodium	(Na)	1 atom

The binding sites of Calcium atom in the 2.7 Angstrom Structure of A Phosphotransferase in Complex with A Receiver Domain (pdb code 4qpj). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the 2.7 Angstrom Structure of A Phosphotransferase in Complex with A Receiver Domain, PDB code: 4qpj:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the 2.7 Angstrom Structure of A Phosphotransferase in Complex with A Receiver Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of 2.7 Angstrom Structure of A Phosphotransferase in Complex with A Receiver Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca304 b:64.1 occ:1.00 O A:PHE92 2.7 58.4 1.0 O A:PRO97 2.7 56.7 1.0 O A:GLU95 2.8 58.7 1.0 O A:ARG93 3.4 68.3 1.0 C A:PRO97 3.8 59.0 1.0 C A:PHE92 3.9 56.8 1.0 C A:GLU95 3.9 59.7 1.0 C A:ARG93 4.1 63.7 1.0 O A:LYS96 4.1 54.1 1.0 C A:LYS96 4.2 53.8 1.0 CA A:ARG93 4.3 56.1 1.0 N A:GLU95 4.5 54.4 1.0 N A:PRO97 4.5 55.8 1.0 N A:ARG93 4.6 56.7 1.0 N A:GLU98 4.6 61.5 1.0 CA A:GLU98 4.6 68.8 1.0 CA A:GLU95 4.7 59.3 1.0 N A:LYS96 4.7 60.3 1.0 CA A:PRO97 4.8 56.7 1.0 CA A:LYS96 4.8 55.8 1.0 CB A:PHE92 4.9 50.5 1.0 CA A:PHE92 4.9 54.2 1.0 N A:PHE99 5.0 58.9 1.0

Calcium binding site 2 out of 3 in the 2.7 Angstrom Structure of A Phosphotransferase in Complex with A Receiver Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of 2.7 Angstrom Structure of A Phosphotransferase in Complex with A Receiver Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca304 b:91.1 occ:1.00 O B:PRO97 2.6 86.4 1.0 O B:PHE92 2.9 83.6 1.0 O B:GLU95 2.9 86.0 1.0 C B:PRO97 3.8 85.0 1.0 O B:LYS96 4.0 87.1 1.0 C B:PHE92 4.0 77.1 1.0 C B:GLU95 4.1 86.2 1.0 CA B:ARG93 4.3 81.2 1.0 C B:LYS96 4.3 86.9 1.0 CA B:GLU98 4.4 86.6 1.0 C B:ARG93 4.4 83.7 1.0 O B:ARG93 4.4 86.6 1.0 N B:GLU98 4.6 81.0 1.0 N B:GLU95 4.6 84.3 1.0 N B:ARG93 4.6 76.6 1.0 N B:PRO97 4.7 84.5 1.0 CA B:PRO97 4.8 86.0 1.0 CA B:GLU95 4.9 83.0 1.0 N B:ASN94 5.0 85.4 1.0

Calcium binding site 3 out of 3 in the 2.7 Angstrom Structure of A Phosphotransferase in Complex with A Receiver Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of 2.7 Angstrom Structure of A Phosphotransferase in Complex with A Receiver Domain within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca202 b:99.2 occ:1.00 OD1 C:ASP44 3.5 79.5 1.0 O C:TYR43 3.6 71.8 1.0 O C:LYS41 3.8 73.8 1.0 O C:GLY40 3.9 74.7 1.0 O C:HOH303 4.3 56.7 1.0 C C:LYS41 4.4 70.4 1.0 C C:TYR43 4.4 72.2 1.0 CG C:ASP44 4.7 75.0 1.0 OG1 C:THR73 4.8 56.3 1.0 C C:LEU42 4.8 75.3 1.0 O C:LEU42 4.8 76.8 1.0 N C:LEU42 4.9 71.0 1.0 CG1 C:VAL71 4.9 50.0 1.0 C C:GLY40 5.0 70.7 1.0 N C:TYR43 5.0 71.6 1.0

J.W.Willett, J.Herrou, A.Briegel, G.Rotskoff, S.Crosson. Structural Asymmetry in A Conserved Signaling System That Regulates Division, Replication, and Virulence of An Intracellular Pathogen. Proc.Natl.Acad.Sci.Usa V. 112 E3709 2015.
ISSN: ISSN 0027-8424
PubMed: 26124143
DOI: 10.1073/PNAS.1503118112