Calcium in PDB 1kkl: L.Casei Hprk/P in Complex with B.Subtilis Hpr

The structure of L.Casei Hprk/P in Complex with B.Subtilis Hpr, PDB code: 1kkl was solved by S.Fieulaine, S.Morera, S.Poncet, A.Galinier, J.Janin, J.Deutscher, S.Nessler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.80
Space group	P 32 1 2
Cell size a, b, c (Å), α, β, γ (°)	81.135, 81.135, 253.192, 90.00, 90.00, 120.00
R / Rfree (%)	21.3 / 26.4

The binding sites of Calcium atom in the L.Casei Hprk/P in Complex with B.Subtilis Hpr (pdb code 1kkl). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the L.Casei Hprk/P in Complex with B.Subtilis Hpr, PDB code: 1kkl:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the L.Casei Hprk/P in Complex with B.Subtilis Hpr


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of L.Casei Hprk/P in Complex with B.Subtilis Hpr within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:57.6 occ:1.00 O A:GLU204 2.8 49.1 1.0 OE1 A:GLU204 2.8 43.6 1.0 OG A:SER162 2.9 45.4 1.0 CB A:SER162 3.3 43.6 1.0 C A:GLU204 3.9 46.8 1.0 CD A:GLU204 3.9 42.6 1.0 CB A:GLU204 4.4 36.6 1.0 N A:SER162 4.5 44.0 1.0 CA A:SER162 4.5 42.9 1.0 OE2 A:GLU163 4.6 41.9 1.0 CA A:GLU204 4.7 46.5 1.0 OE2 A:GLU204 4.7 42.7 1.0 CG A:GLU204 4.8 39.6 1.0 O A:HOH448 4.8 7.6 1.0 N A:ILE205 4.9 31.1 1.0 CA A:ILE205 4.9 29.7 1.0

Calcium binding site 2 out of 3 in the L.Casei Hprk/P in Complex with B.Subtilis Hpr


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of L.Casei Hprk/P in Complex with B.Subtilis Hpr within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca402 b:69.8 occ:1.00 OG B:SER162 2.8 48.3 1.0 O B:GLU204 3.1 50.9 1.0 OE1 B:GLU204 3.1 59.1 1.0 CB B:SER162 3.3 47.3 1.0 C B:GLU204 4.2 49.0 1.0 CD B:GLU204 4.3 58.9 1.0 N B:SER162 4.4 38.9 1.0 CA B:SER162 4.5 38.2 1.0 O B:HOH434 4.6 18.6 1.0 OE2 B:GLU163 4.7 45.9 1.0 CB B:GLU204 4.7 52.4 1.0 OG I:SER46 4.7 85.2 1.0 OD2 B:ASP178 4.9 48.6 1.0 CA B:GLU204 5.0 48.2 1.0

Calcium binding site 3 out of 3 in the L.Casei Hprk/P in Complex with B.Subtilis Hpr


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of L.Casei Hprk/P in Complex with B.Subtilis Hpr within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca403 b:55.0 occ:1.00 OE1 C:GLU204 2.8 55.9 1.0 O C:GLU204 2.8 44.8 1.0 OG C:SER162 2.8 65.5 1.0 CB C:SER162 3.3 61.3 1.0 CD C:GLU204 3.9 53.6 1.0 C C:GLU204 3.9 43.2 1.0 CB C:GLU204 4.1 46.3 1.0 CA C:GLU204 4.6 41.9 1.0 CA C:SER162 4.6 36.8 1.0 N C:SER162 4.6 38.3 1.0 CG C:GLU204 4.6 51.0 1.0 OE2 C:GLU204 4.7 54.2 1.0 N C:GLU204 4.8 40.9 1.0 OE2 C:GLU163 4.8 44.0 1.0 OD2 C:ASP178 4.9 55.1 1.0 N C:ILE205 4.9 40.2 1.0 OD1 C:ASP178 4.9 56.5 1.0 O C:HOH454 5.0 9.2 1.0

S.Fieulaine, S.Morera, S.Poncet, I.Mijakovic, A.Galinier, J.Janin, J.Deutscher, S.Nessler. X-Ray Structure of A Bifunctional Protein Kinase in Complex with Its Protein Substrate Hpr. Proc.Natl.Acad.Sci.Usa V. 99 13437 2002.
ISSN: ISSN 0027-8424
PubMed: 12359875
DOI: 10.1073/PNAS.192368699