Calcium in PDB 3is5: Crystal Structure of Cdpk Kinase Domain From Toxoplasma Gondii, TGME49_018720

All present enzymatic activity of Crystal Structure of Cdpk Kinase Domain From Toxoplasma Gondii, TGME49_018720:
2.7.11.17;

The structure of Crystal Structure of Cdpk Kinase Domain From Toxoplasma Gondii, TGME49_018720, PDB code: 3is5 was solved by A.K.Wernimont, J.D.Artz, G.Senisterra, F.Mackenzie, A.Hutchinson, I.Kozieradzki, D.Cossar, A.Bochkarev, C.H.Arrowsmith, A.M.Edwards, C.Bountra, J.Weigelt, R.Hui, Y.H.Lin, Structural Genomics Consortium(Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.55
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	113.973, 113.973, 153.471, 90.00, 90.00, 120.00
R / Rfree (%)	21.8 / 25.9

The structure of Crystal Structure of Cdpk Kinase Domain From Toxoplasma Gondii, TGME49_018720 also contains other interesting chemical elements:

Magnesium

(Mg)

6 atoms

The binding sites of Calcium atom in the Crystal Structure of Cdpk Kinase Domain From Toxoplasma Gondii, TGME49_018720 (pdb code 3is5). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of Cdpk Kinase Domain From Toxoplasma Gondii, TGME49_018720, PDB code: 3is5:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of Cdpk Kinase Domain From Toxoplasma Gondii, TGME49_018720


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Cdpk Kinase Domain From Toxoplasma Gondii, TGME49_018720 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca397 b:93.1 occ:1.00 OE2 B:GLU154 2.4 35.5 1.0 OE2 A:GLU154 2.4 39.6 1.0 O A:HOH457 2.7 41.3 1.0 CD B:GLU154 3.6 34.4 1.0 CD A:GLU154 3.6 38.9 1.0 OE2 B:GLU198 4.1 27.6 1.0 OE1 A:GLU154 4.2 39.5 1.0 OE1 A:GLU198 4.3 25.8 1.0 OG B:SER156 4.4 32.5 1.0 OE1 B:GLU154 4.4 34.7 1.0 CG B:GLU154 4.4 32.8 1.0 OE1 B:GLU198 4.5 26.5 1.0 CG A:GLU154 4.7 37.5 1.0 CD B:GLU198 4.7 26.8 1.0 OE2 A:GLU198 4.7 23.5 1.0 CD A:GLU198 4.8 24.4 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of Cdpk Kinase Domain From Toxoplasma Gondii, TGME49_018720


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Cdpk Kinase Domain From Toxoplasma Gondii, TGME49_018720 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca397 b:94.5 occ:1.00 OE1 C:GLU154 2.7 46.1 1.0 OE2 D:GLU154 2.8 36.8 1.0 OE2 C:GLU198 3.3 31.9 1.0 OE1 D:GLU198 3.4 34.0 1.0 CD D:GLU154 3.6 35.8 1.0 CD C:GLU154 3.9 44.6 1.0 OE1 D:GLU154 4.2 35.7 1.0 OE2 D:GLU198 4.2 33.7 1.0 CD D:GLU198 4.3 33.5 1.0 CD C:GLU198 4.4 30.9 1.0 CG D:GLU154 4.4 35.6 1.0 OG C:SER156 4.5 42.8 1.0 OE2 C:GLU154 4.5 44.2 1.0 OE1 C:GLU198 4.7 31.0 1.0 CG C:GLU154 4.9 42.9 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of Cdpk Kinase Domain From Toxoplasma Gondii, TGME49_018720


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Cdpk Kinase Domain From Toxoplasma Gondii, TGME49_018720 within 5.0Å range: probe atom residue distance (Å) B Occ F:Ca1 b:68.4 occ:1.00 O E:HOH555 2.3 32.2 1.0 OE2 E:GLU154 2.4 27.0 1.0 O F:HOH556 2.5 53.6 1.0 OE2 F:GLU154 2.5 28.4 1.0 OE1 F:GLU198 3.3 21.7 1.0 CD F:GLU154 3.3 26.4 1.0 OE1 E:GLU198 3.5 22.9 1.0 OE1 F:GLU154 3.5 26.5 1.0 CD E:GLU154 3.6 26.4 1.0 OE1 E:GLU154 4.3 27.9 1.0 CD F:GLU198 4.3 19.6 1.0 CD E:GLU198 4.4 20.9 1.0 O F:HOH527 4.4 30.9 1.0 O E:HOH508 4.4 11.2 1.0 OE2 E:GLU198 4.5 18.2 1.0 OG E:SER156 4.5 24.0 1.0 CG E:GLU154 4.5 24.0 1.0 OE2 F:GLU198 4.6 19.5 1.0 CG F:GLU154 4.7 25.1 1.0 OG F:SER156 4.7 25.9 1.0

A.K.Wernimont, J.D.Artz, G.Senisterra, F.Mackenzie, A.Hutchinson, I.Kozieradzki, D.Cossar, A.Bochkarev, C.H.Arrowsmith, A.M.Edwards, C.Bountra, J.Weigelt, R.Hui, Y.H.Lin. Crystal Structure of Cdpk Kinase Domain From Toxoplasma Gondii, TGME49_018720 To Be Published.