Calcium in PDB 6y7y: Fragments KCL_771 and KCL_802 in Complex with Map Kinase P38-Alpha

All present enzymatic activity of Fragments KCL_771 and KCL_802 in Complex with Map Kinase P38-Alpha:
2.7.11.24;

The structure of Fragments KCL_771 and KCL_802 in Complex with Map Kinase P38-Alpha, PDB code: 6y7y 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)	63.27 / 1.51
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	80.380, 102.586, 104.731, 90.00, 90.00, 90.00
R / Rfree (%)	22 / 24.9

The structure of Fragments KCL_771 and KCL_802 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 Fragments KCL_771 and KCL_802 in Complex with Map Kinase P38-Alpha (pdb code 6y7y). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Fragments KCL_771 and KCL_802 in Complex with Map Kinase P38-Alpha, PDB code: 6y7y:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Fragments KCL_771 and KCL_802 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 Fragments KCL_771 and KCL_802 in Complex with Map Kinase P38-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:19.3 occ:1.00 O A:GLU356 2.3 18.5 1.0 OD1 A:ASP354 2.5 19.8 1.0 OD2 A:ASP354 2.6 20.9 1.0 CG A:ASP354 2.9 24.2 1.0 C A:GLU356 3.4 20.1 1.0 CA A:GLU357 4.2 24.0 1.0 N A:GLU357 4.2 21.9 1.0 CA A:GLU356 4.3 22.6 1.0 N A:GLU356 4.3 18.9 1.0 CB A:ASP354 4.4 14.4 1.0 CB A:GLU356 4.6 25.6 1.0 O A:HOH697 4.8 34.7 1.0 CG A:GLU357 4.9 36.4 1.0

Calcium binding site 2 out of 4 in the Fragments KCL_771 and KCL_802 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 Fragments KCL_771 and KCL_802 in Complex with Map Kinase P38-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:18.0 occ:1.00 O A:HOH565 2.3 25.5 1.0 OD2 A:ASP313 2.4 18.4 1.0 O A:HOH591 2.4 18.3 1.0 O A:HOH632 2.5 19.8 1.0 OE2 A:GLU359 2.6 29.0 1.0 CG A:ASP313 3.4 23.4 1.0 CD A:GLU359 3.6 36.5 1.0 OE1 A:GLU359 3.8 36.9 1.0 CB A:ASP313 3.8 19.2 1.0 O A:HOH505 4.0 26.2 1.0 OD1 A:ASP313 4.5 22.0 1.0 O A:HOH542 4.6 22.3 1.0 OD2 A:ASP316 4.6 18.4 1.0 CB A:ASP316 4.7 15.8 1.0 CG A:GLU359 4.9 37.6 1.0 O A:HOH688 4.9 30.1 1.0

Calcium binding site 3 out of 4 in the Fragments KCL_771 and KCL_802 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 Fragments KCL_771 and KCL_802 in Complex with Map Kinase P38-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:55.2 occ:1.00 O A:HOH557 2.4 33.3 1.0 O A:HOH505 2.6 26.2 1.0 OD2 A:ASP315 2.7 46.8 1.0 CG A:ASP315 3.7 43.0 1.0 CB A:ASP315 4.0 31.6 1.0 OD1 A:ASP313 4.6 22.0 1.0 CB A:GLU359 4.7 37.2 1.0 OE2 A:GLU359 4.8 29.0 1.0 OD1 A:ASP315 4.8 48.6 1.0 OD2 A:ASP313 4.9 18.4 1.0

Calcium binding site 4 out of 4 in the Fragments KCL_771 and KCL_802 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 Fragments KCL_771 and KCL_802 in Complex with Map Kinase P38-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca405 b:20.1 occ:1.00 ND1 A:HIS142 2.2 12.1 1.0 O A:HOH683 2.2 10.9 1.0 OE1 A:GLN202 2.3 31.5 1.0 O A:HOH696 2.3 10.8 1.0 CD A:GLN202 3.0 34.1 1.0 CG A:HIS142 3.1 10.2 1.0 CE1 A:HIS142 3.1 13.1 1.0 CB A:HIS142 3.3 12.9 1.0 CG A:GLN202 3.4 25.9 1.0 N A:ALA299 3.9 12.6 1.0 CB A:GLN202 4.0 20.5 1.0 NE2 A:GLN202 4.1 42.2 1.0 CB A:ALA299 4.2 11.7 1.0 CD2 A:HIS142 4.2 10.7 1.0 O A:HOH652 4.2 30.2 1.0 NE2 A:HIS142 4.2 11.7 1.0 CB A:THR298 4.4 16.3 1.0 O A:HOH595 4.5 22.6 1.0 CA A:ALA299 4.7 13.1 1.0 O A:GLN202 4.8 14.0 1.0 O A:LEU138 4.8 11.2 1.0 CA A:THR298 4.8 15.0 1.0 C A:GLN202 4.8 18.9 1.0 CA A:HIS142 4.8 12.2 1.0 C A:THR298 4.9 13.5 1.0

G.F.De Nicola, C.E.Nichols. Fragments KCL_771 and KCL_802 in Complex with Map Kinase P38-Alpha To Be Published.