Calcium in PDB 6y7z: Fragment KCL_914 in Complex with Map Kinase P38-Alpha

All present enzymatic activity of Fragment KCL_914 in Complex with Map Kinase P38-Alpha:
2.7.11.24;

The structure of Fragment KCL_914 in Complex with Map Kinase P38-Alpha, PDB code: 6y7z was solved by G.F.De Nicola, C.E.Nichols, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	63.71 / 1.35
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	80.732, 102.700, 103.733, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 22.1

The structure of Fragment KCL_914 in Complex with Map Kinase P38-Alpha also contains other interesting chemical elements:

Fluorine	(F)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Calcium atom in the Fragment KCL_914 in Complex with Map Kinase P38-Alpha (pdb code 6y7z). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Fragment KCL_914 in Complex with Map Kinase P38-Alpha, PDB code: 6y7z:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Fragment KCL_914 in Complex with Map Kinase P38-Alpha


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Fragment KCL_914 in Complex with Map Kinase P38-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:14.7 occ:1.00 O A:GLU356 2.4 17.9 1.0 OD1 A:ASP354 2.4 16.4 1.0 OD2 A:ASP354 2.6 14.2 1.0 CG A:ASP354 2.8 15.7 1.0 C A:GLU356 3.5 17.9 1.0 O A:HOH567 4.3 17.1 1.0 N A:GLU357 4.3 18.6 1.0 CB A:ASP354 4.3 15.1 1.0 N A:GLU356 4.4 15.7 1.0 CA A:GLU357 4.4 19.9 1.0 CA A:GLU356 4.4 17.8 1.0 O A:HOH728 4.5 23.4 1.0 CB A:GLU356 4.7 19.2 1.0

Calcium binding site 2 out of 4 in the Fragment KCL_914 in Complex with Map Kinase P38-Alpha


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Fragment KCL_914 in Complex with Map Kinase P38-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:16.1 occ:1.00 OD2 A:ASP313 2.4 17.2 1.0 O A:HOH595 2.4 15.1 1.0 O A:HOH601 2.4 21.0 1.0 OE2 A:GLU359 2.5 22.9 1.0 CG A:ASP313 3.4 18.2 1.0 CD A:GLU359 3.6 27.9 1.0 CB A:ASP313 3.8 16.4 1.0 OE1 A:GLU359 3.9 33.5 1.0 O A:HOH508 4.0 24.2 1.0 O A:HOH727 4.3 32.8 1.0 OD1 A:ASP313 4.5 18.6 1.0 OD2 A:ASP316 4.5 17.6 1.0 O A:HOH529 4.6 16.8 1.0 CB A:ASP316 4.8 15.8 1.0 O A:HOH711 4.8 26.3 1.0 CG A:GLU359 4.9 24.4 1.0

Calcium binding site 3 out of 4 in the Fragment KCL_914 in Complex with Map Kinase P38-Alpha


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Fragment KCL_914 in Complex with Map Kinase P38-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca405 b:34.3 occ:1.00 O A:HOH565 2.4 30.9 1.0 O A:HOH738 2.5 41.0 1.0 O A:HOH726 2.5 39.1 1.0 O A:HOH508 2.5 24.2 1.0 OD1 A:ASP315 2.7 38.7 1.0 CG A:ASP315 3.7 33.6 1.0 O A:HOH727 3.7 32.8 1.0 O A:HOH688 3.8 37.2 1.0 CB A:ASP315 3.9 25.6 1.0 CB A:GLU359 4.5 27.1 1.0 OD1 A:ASP313 4.5 18.6 1.0 OD2 A:ASP313 4.8 17.2 1.0 OD2 A:ASP315 4.8 34.6 1.0

Calcium binding site 4 out of 4 in the Fragment KCL_914 in Complex with Map Kinase P38-Alpha


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Fragment KCL_914 in Complex with Map Kinase P38-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca406 b:33.0 occ:0.30 O A:HOH725 2.5 35.5 1.0 O A:HOH665 2.8 29.9 0.5 O A:HOH610 4.3 31.1 1.0 OE2 A:GLU163 4.6 26.6 1.0 OE2 A:GLU356 4.7 25.8 1.0 O A:HOH728 5.0 23.4 1.0 OE1 A:GLU163 5.0 25.8 1.0

G.F.De Nicola, C.E.Nichols. Fragment KCL_914 in Complex with Map Kinase P38-Alpha To Be Published.