Calcium in PDB 6ycw: Fragment KCL_K767 in Complex with Map Kinase P38-Alpha

All present enzymatic activity of Fragment KCL_K767 in Complex with Map Kinase P38-Alpha:
2.7.11.24;

The structure of Fragment KCL_K767 in Complex with Map Kinase P38-Alpha, PDB code: 6ycw 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)	63.73 / 1.34
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	80.870, 102.193, 103.525, 90.00, 90.00, 90.00
R / Rfree (%)	22.9 / 25.1

The structure of Fragment KCL_K767 in Complex with Map Kinase P38-Alpha also contains other interesting chemical elements:

Fluorine

(F)

1 atom

The binding sites of Calcium atom in the Fragment KCL_K767 in Complex with Map Kinase P38-Alpha (pdb code 6ycw). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Fragment KCL_K767 in Complex with Map Kinase P38-Alpha, PDB code: 6ycw:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Fragment KCL_K767 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_K767 in Complex with Map Kinase P38-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:14.7 occ:1.00 O A:GLU356 2.4 18.0 1.0 OD1 A:ASP354 2.4 15.5 1.0 OD2 A:ASP354 2.5 13.6 1.0 CG A:ASP354 2.8 15.6 1.0 C A:GLU356 3.4 18.0 1.0 N A:GLU357 4.3 20.5 1.0 CA A:GLU357 4.3 21.7 1.0 CA A:GLU356 4.4 18.9 1.0 N A:GLU356 4.4 16.5 1.0 CB A:ASP354 4.4 13.7 1.0 O A:HOH709 4.6 24.9 1.0 CB A:GLU356 4.6 20.6 1.0 CG A:GLU357 5.0 29.1 1.0

Calcium binding site 2 out of 3 in the Fragment KCL_K767 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_K767 in Complex with Map Kinase P38-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:16.1 occ:1.00 OD2 A:ASP313 2.4 17.9 1.0 O A:HOH583 2.4 15.8 1.0 O A:HOH554 2.4 24.8 1.0 OE2 A:GLU359 2.5 22.8 1.0 O A:HOH572 2.5 17.0 1.0 CG A:ASP313 3.4 18.4 1.0 CD A:GLU359 3.5 27.1 1.0 CB A:ASP313 3.8 15.6 1.0 OE1 A:GLU359 3.9 31.1 1.0 O A:HOH507 4.0 22.6 1.0 O A:HOH705 4.2 31.9 1.0 OD2 A:ASP316 4.5 16.9 1.0 OD1 A:ASP313 4.5 18.3 1.0 O A:HOH543 4.6 17.3 1.0 CB A:ASP316 4.8 14.9 1.0 O A:HOH695 4.8 28.0 1.0 CG A:GLU359 4.8 26.4 1.0

Calcium binding site 3 out of 3 in the Fragment KCL_K767 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_K767 in Complex with Map Kinase P38-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:37.4 occ:1.00 OD1 A:ASP315 2.4 36.2 1.0 O A:HOH547 2.5 33.5 1.0 O A:HOH507 2.5 22.6 1.0 CG A:ASP315 3.4 32.6 1.0 CB A:ASP315 3.7 26.3 1.0 O A:HOH705 3.8 31.9 1.0 OD1 A:ASP313 4.5 18.3 1.0 CB A:GLU359 4.5 30.4 1.0 OD2 A:ASP315 4.5 31.7 1.0 OD2 A:ASP313 4.8 17.9 1.0

G.F.De Nicola, C.E.Nichols. Fragment KCL_K767 in Complex with Map Kinase P38-Alpha To Be Published.