Calcium in PDB 6y7w: Fragment KCL_1337 in Complex with Map Kinase P38-Alpha

All present enzymatic activity of Fragment KCL_1337 in Complex with Map Kinase P38-Alpha:
2.7.11.24;

The structure of Fragment KCL_1337 in Complex with Map Kinase P38-Alpha, PDB code: 6y7w 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)	63.83 / 1.39
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	80.881, 102.043, 103.947, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 21.9

The structure of Fragment KCL_1337 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_1337 in Complex with Map Kinase P38-Alpha (pdb code 6y7w). 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_1337 in Complex with Map Kinase P38-Alpha, PDB code: 6y7w:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Fragment KCL_1337 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_1337 in Complex with Map Kinase P38-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:17.5 occ:1.00 O A:GLU356 2.3 21.6 1.0 OD1 A:ASP354 2.5 17.9 1.0 OD2 A:ASP354 2.6 17.1 1.0 CG A:ASP354 2.9 17.8 1.0 C A:GLU356 3.4 21.7 1.0 N A:GLU357 4.3 23.5 1.0 CA A:GLU357 4.3 23.8 1.0 N A:GLU356 4.3 20.4 1.0 CA A:GLU356 4.4 23.1 1.0 CB A:ASP354 4.4 17.4 1.0 O A:HOH722 4.6 26.9 1.0 CB A:GLU356 4.7 25.2 1.0 CG A:GLU357 4.8 34.8 1.0

Calcium binding site 2 out of 4 in the Fragment KCL_1337 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_1337 in Complex with Map Kinase P38-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:18.7 occ:1.00 OD2 A:ASP313 2.3 20.0 1.0 O A:HOH619 2.4 25.6 1.0 O A:HOH587 2.4 18.0 1.0 O A:HOH583 2.5 21.5 1.0 OE2 A:GLU359 2.5 27.2 1.0 CG A:ASP313 3.4 22.0 1.0 CD A:GLU359 3.5 31.0 1.0 CB A:ASP313 3.8 18.9 1.0 OE1 A:GLU359 3.8 37.0 1.0 O A:HOH508 4.0 20.8 1.0 O A:HOH718 4.4 34.5 1.0 OD2 A:ASP316 4.5 18.3 1.0 OD1 A:ASP313 4.5 22.0 1.0 O A:HOH542 4.6 20.3 1.0 CB A:ASP316 4.8 17.9 1.0 CG A:GLU359 4.8 31.9 1.0 O A:HOH684 4.8 32.6 1.0

Calcium binding site 3 out of 4 in the Fragment KCL_1337 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_1337 in Complex with Map Kinase P38-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:43.0 occ:1.00 O A:HOH508 2.4 20.8 1.0 O A:HOH584 2.4 37.5 1.0 O A:HOH721 2.5 47.2 1.0 OD1 A:ASP315 2.6 41.1 1.0 CG A:ASP315 3.6 38.0 1.0 O A:HOH718 3.6 34.5 1.0 CB A:ASP315 3.8 29.4 1.0 CB A:GLU359 4.4 33.0 1.0 OD1 A:ASP313 4.4 22.0 1.0 OD2 A:ASP315 4.8 37.9 1.0 OD2 A:ASP313 4.8 20.0 1.0 C A:GLU359 4.8 49.1 1.0 OE2 A:GLU359 4.9 27.2 1.0

Calcium binding site 4 out of 4 in the Fragment KCL_1337 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_1337 in Complex with Map Kinase P38-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca405 b:47.2 occ:1.00 O A:HOH732 2.4 36.7 1.0 OD1 A:ASP283 2.5 29.3 1.0 CG A:ASP283 3.5 28.8 1.0 CB A:ASP283 3.7 22.8 1.0 CA A:ASP283 4.0 19.2 1.0 O A:HOH615 4.1 28.8 1.0 OD2 A:ASP283 4.6 24.0 1.0 O A:HOH717 4.7 39.9 1.0 N A:ASP283 4.8 20.3 1.0 CG A:GLU286 4.9 22.7 1.0

G.F.De Nicola, C.E.Nichols. Fragment KCL_1337 in Complex with Map Kinase P38-Alpha To Be Published.