Calcium in PDB 5jn2: Crystal Structure of TGCDPK1 Bound to NVPACU106

The structure of Crystal Structure of TGCDPK1 Bound to NVPACU106, PDB code: 5jn2 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)	48.12 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.142, 72.473, 65.101, 90.00, 98.63, 90.00
R / Rfree (%)	23.3 / 26.9

The binding sites of Calcium atom in the Crystal Structure of TGCDPK1 Bound to NVPACU106 (pdb code 5jn2). 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 NVPACU106, PDB code: 5jn2:

Calcium binding site 1 out of 1 in the Crystal Structure of TGCDPK1 Bound to NVPACU106


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 NVPACU106 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca602 b:92.4 occ:1.00 OD1 A:ASP451 2.1 53.3 1.0 OG A:SER455 2.2 54.8 1.0 OD1 A:ASP453 2.5 74.2 1.0 O1 A:EDO603 2.6 0.6 1.0 O A:LYS457 2.6 51.4 1.0 HO1 A:EDO603 2.7 0.7 1.0 H A:SER455 3.0 44.9 1.0 CG A:ASP451 3.2 52.5 1.0 HB3 A:SER455 3.2 49.5 1.0 CB A:SER455 3.2 48.7 1.0 H A:LYS457 3.3 46.6 1.0 HA A:ASP451 3.5 46.4 1.0 CG A:ASP453 3.5 68.7 1.0 C1 A:EDO603 3.8 0.3 1.0 C A:LYS457 3.8 51.5 1.0 N A:SER455 3.8 45.4 1.0 OD2 A:ASP453 3.8 71.5 1.0 O2 A:EDO603 3.9 0.5 1.0 OD2 A:ASP451 3.9 54.7 1.0 H A:GLY456 4.0 44.9 1.0 CA A:SER455 4.0 45.6 1.0 H A:ASP453 4.1 50.1 1.0 HB2 A:SER455 4.1 49.5 1.0 H11 A:EDO603 4.1 0.3 1.0 CB A:ASP451 4.1 46.3 1.0 HA A:ILE458 4.1 50.0 1.0 N A:LYS457 4.2 46.5 1.0 CA A:ASP451 4.2 46.1 1.0 HB2 A:ASP451 4.3 45.0 1.0 HG22 A:ILE458 4.3 53.5 1.0 C2 A:EDO603 4.3 0.9 1.0 N A:GLY456 4.4 45.1 1.0 H22 A:EDO603 4.5 0.9 1.0 H12 A:EDO603 4.5 0.3 1.0 C A:SER455 4.6 49.3 1.0 CA A:LYS457 4.6 46.9 1.0 HB2 A:LYS457 4.6 51.6 1.0 H A:ASN454 4.7 47.2 1.0 C A:ASP451 4.7 52.3 1.0 HO2 A:EDO603 4.8 0.6 1.0 N A:ILE458 4.8 49.0 1.0 CB A:ASP453 4.9 54.5 1.0 N A:ASN454 4.9 47.5 1.0 N A:ASP453 4.9 51.3 1.0 HG23 A:ILE458 4.9 52.3 1.0 CA A:ILE458 5.0 49.5 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 TGCDPK1 Bound to NVPACU106 To Be Published.