Calcium in PDB 5jms: Crystal Structure of TGCDPK1 Bound to CGP060476

The structure of Crystal Structure of TGCDPK1 Bound to CGP060476, PDB code: 5jms was solved by M.El Bakkouri, J.R.Walker, P.Loppnau, S.Graslund, C.Bountra, C.H.Arrowsmith, A.M.Edwards, R.Hui, D.V.Lovato, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.28 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.169, 72.750, 65.276, 90.00, 98.62, 90.00
R / Rfree (%)	22.4 / 26.4

The structure of Crystal Structure of TGCDPK1 Bound to CGP060476 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Calcium atom in the Crystal Structure of TGCDPK1 Bound to CGP060476 (pdb code 5jms). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of TGCDPK1 Bound to CGP060476, PDB code: 5jms:

Calcium binding site 1 out of 1 in the Crystal Structure of TGCDPK1 Bound to CGP060476


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 TGCDPK1 Bound to CGP060476 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca602 b:89.7 occ:1.00 OD1 A:ASP451 2.1 51.9 1.0 OG A:SER455 2.3 52.7 1.0 OD1 A:ASP453 2.5 67.8 1.0 O A:LYS457 2.6 50.8 1.0 O A:HOH731 2.8 54.8 1.0 H A:SER455 3.0 43.3 1.0 O1 A:EDO604 3.1 84.2 1.0 CG A:ASP451 3.2 50.3 1.0 H A:LYS457 3.3 46.1 1.0 HB3 A:SER455 3.3 47.3 1.0 CB A:SER455 3.4 46.7 1.0 HA A:ASP451 3.4 44.0 1.0 HO1 A:EDO604 3.5 84.2 1.0 CG A:ASP453 3.5 68.0 1.0 HO2 A:EDO604 3.6 83.0 1.0 H21 A:EDO604 3.7 83.9 1.0 C A:LYS457 3.8 50.9 1.0 OD2 A:ASP453 3.8 76.2 1.0 N A:SER455 3.9 44.0 1.0 OD2 A:ASP451 3.9 52.0 1.0 H A:GLY456 4.0 44.5 1.0 CB A:ASP451 4.0 44.2 1.0 H A:ASP453 4.1 49.1 1.0 HA A:ILE458 4.1 49.2 1.0 CA A:SER455 4.1 44.4 1.0 CA A:ASP451 4.1 43.7 1.0 N A:LYS457 4.2 46.0 1.0 HB2 A:ASP451 4.2 42.9 1.0 C1 A:EDO604 4.2 84.1 1.0 HB2 A:SER455 4.2 47.5 1.0 C2 A:EDO604 4.3 83.9 1.0 HG22 A:ILE458 4.3 53.2 1.0 O2 A:EDO604 4.3 83.1 1.0 N A:GLY456 4.4 44.7 1.0 CA A:LYS457 4.6 46.2 1.0 H11 A:EDO604 4.6 84.0 1.0 C A:SER455 4.6 48.6 1.0 H A:ASN454 4.6 46.4 1.0 HB2 A:LYS457 4.7 50.8 1.0 C A:ASP451 4.7 49.7 1.0 HG23 A:ILE458 4.7 52.2 1.0 N A:ILE458 4.8 48.4 1.0 N A:ASN454 4.8 46.9 1.0 CB A:ASP453 4.8 54.3 1.0 N A:ASP453 4.9 50.4 1.0 CA A:ILE458 4.9 48.7 1.0

M.El Bakkouri, J.R.Walker, P.Loppnau, S.Graslund, C.Bountra, C.H.Arrowsmith, A.M.Edwards, R.Hui, D.V.Lovato, Structural Genomics Consortium (Sgc). Crystal Structure of TGCDPK1BOUNT to CGP060476 To Be Published.