Calcium in PDB 5ckw: Crystal Structure of LEGK4_AMPPNP Kinase

The structure of Crystal Structure of LEGK4_AMPPNP Kinase, PDB code: 5ckw was solved by A.Flayhan, L.Terradot, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.35 / 2.49
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	82.684, 76.871, 86.441, 90.00, 98.19, 90.00
R / Rfree (%)	20.4 / 25.8

The structure of Crystal Structure of LEGK4_AMPPNP Kinase also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Calcium atom in the Crystal Structure of LEGK4_AMPPNP Kinase (pdb code 5ckw). 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 LEGK4_AMPPNP Kinase, PDB code: 5ckw:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of LEGK4_AMPPNP Kinase


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 LEGK4_AMPPNP Kinase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca504 b:0.8 occ:1.00 OE1 B:GLU352 3.1 72.5 1.0 OE2 B:GLU352 3.8 64.2 1.0 CD B:GLU352 3.8 69.0 1.0 O B:HOH697 3.9 63.1 1.0 CB B:ALA384 4.2 36.3 1.0 CA B:ALA384 4.2 38.6 1.0 O B:GLN380 4.8 43.3 1.0 N B:ALA384 4.9 40.6 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of LEGK4_AMPPNP Kinase


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 LEGK4_AMPPNP Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca504 b:91.4 occ:1.00 OE2 A:GLU302 2.2 86.4 1.0 O A:HOH624 2.4 22.2 0.7 O A:HOH636 2.4 40.2 1.0 CD A:GLU302 3.4 87.0 1.0 OE1 A:GLU302 4.1 95.9 1.0 CG A:GLU302 4.5 77.8 1.0 OG A:SER304 4.7 69.5 1.0

A.Flayhan, C.Berge, N.Bailo, P.Doublet, R.Bayliss, L.Terradot. The Structure of Legionella Pneumophila LEGK4 Type Four Secretion System (T4SS) Effector Reveals A Novel Dimeric Eukaryotic-Like Kinase. Sci Rep V. 5 14602 2015.
ISSN: ESSN 2045-2322
PubMed: 26419332
DOI: 10.1038/SREP14602