Calcium in PDB 6ycu: Fragment KCL_K777 in Complex with Map Kinase P38-Alpha

All present enzymatic activity of Fragment KCL_K777 in Complex with Map Kinase P38-Alpha:
2.7.11.24;

The structure of Fragment KCL_K777 in Complex with Map Kinase P38-Alpha, PDB code: 6ycu 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)	72.39 / 1.35
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	81.187, 102.082, 102.657, 90.00, 90.00, 90.00
R / Rfree (%)	23.1 / 25.3

The structure of Fragment KCL_K777 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_K777 in Complex with Map Kinase P38-Alpha (pdb code 6ycu). 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_K777 in Complex with Map Kinase P38-Alpha, PDB code: 6ycu:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Fragment KCL_K777 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_K777 in Complex with Map Kinase P38-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:13.3 occ:1.00 O A:GLU356 2.4 17.5 1.0 OD1 A:ASP354 2.4 15.1 1.0 OD2 A:ASP354 2.5 12.5 1.0 CG A:ASP354 2.8 14.1 1.0 C A:GLU356 3.5 17.4 1.0 O A:HOH559 4.3 17.3 1.0 N A:GLU357 4.3 20.8 1.0 CB A:ASP354 4.3 12.0 1.0 N A:GLU356 4.4 16.7 1.0 CA A:GLU356 4.4 18.4 1.0 CA A:GLU357 4.4 20.6 1.0 O A:HOH731 4.6 22.8 1.0 CB A:GLU356 4.6 18.5 1.0

Calcium binding site 2 out of 3 in the Fragment KCL_K777 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_K777 in Complex with Map Kinase P38-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:14.5 occ:1.00 OD2 A:ASP313 2.4 16.4 1.0 O A:HOH586 2.4 14.4 1.0 OE2 A:GLU359 2.5 23.6 1.0 O A:HOH588 2.5 21.7 1.0 CG A:ASP313 3.4 17.6 1.0 CD A:GLU359 3.5 26.3 1.0 CB A:ASP313 3.8 16.0 1.0 OE1 A:GLU359 3.9 30.9 1.0 O A:HOH503 4.0 20.0 1.0 O A:HOH724 4.3 30.4 1.0 OD2 A:ASP316 4.5 15.8 1.0 OD1 A:ASP313 4.5 18.5 1.0 O A:HOH543 4.6 15.4 1.0 O A:HOH718 4.7 26.2 1.0 CB A:ASP316 4.8 14.7 1.0 CG A:GLU359 4.8 25.0 1.0

Calcium binding site 3 out of 3 in the Fragment KCL_K777 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_K777 in Complex with Map Kinase P38-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:37.8 occ:1.00 O A:HOH533 2.4 31.3 1.0 O A:HOH503 2.5 20.0 1.0 OD1 A:ASP315 2.5 33.9 1.0 CG A:ASP315 3.5 32.5 1.0 O A:HOH724 3.7 30.4 1.0 CB A:ASP315 3.7 23.7 1.0 O A:HOH501 3.8 41.4 1.0 OD1 A:ASP313 4.4 18.5 1.0 CB A:GLU359 4.4 26.3 1.0 OD2 A:ASP315 4.7 32.2 1.0 OD2 A:ASP313 4.7 16.4 1.0 C A:GLU359 4.9 31.2 1.0 OE2 A:GLU359 4.9 23.6 1.0 CG A:ASP313 5.0 17.6 1.0

G.F.De Nicola, C.E.Nichols. Fragment KCL_K777 in Complex with Map Kinase P38-Alpha To Be Published.