Chlorine in PDB 4ihp: Crystal Structure of TGCDPK1 with Inhibitor Bound

All present enzymatic activity of Crystal Structure of TGCDPK1 with Inhibitor Bound:
2.7.11.17;

The structure of Crystal Structure of TGCDPK1 with Inhibitor Bound, PDB code: 4ihp was solved by M.El Bakkouri, W.Tempel, I.E.Crandall, T.Massad, P.Loppnau, S.Graslund, C.Bountra, C.H.Arrowsmith, A.M.Edwards, C.K.Kain, K.M.Shokat, L.D.Sibley, R.Hui, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.55 / 2.27
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.309, 73.235, 149.264, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 25.1

The binding sites of Chlorine atom in the Crystal Structure of TGCDPK1 with Inhibitor Bound (pdb code 4ihp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of TGCDPK1 with Inhibitor Bound, PDB code: 4ihp:

Chlorine binding site 1 out of 1 in the Crystal Structure of TGCDPK1 with Inhibitor Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of TGCDPK1 with Inhibitor Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:56.2 occ:1.00 CL1 A:1FB601 0.0 56.2 1.0 CAO A:1FB601 1.7 34.4 1.0 CAJ A:1FB601 2.7 32.6 1.0 CAG A:1FB601 2.7 31.9 1.0 O A:HOH741 3.4 37.2 1.0 CB A:LEU126 4.0 33.5 1.0 CAQ A:1FB601 4.0 30.3 1.0 CAF A:1FB601 4.0 28.7 1.0 CD1 A:LEU126 4.0 40.8 1.0 OD1 A:ASP195 4.1 38.6 1.0 CD1 A:LEU198 4.2 34.4 1.0 CG A:LEU126 4.5 38.4 1.0 CAH A:1FB601 4.5 28.0 1.0 CE A:LYS80 4.5 34.8 1.0 CE A:MET112 4.5 32.0 1.0 CB A:LYS80 4.6 32.0 1.0 SD A:MET112 4.6 33.2 1.0 CD A:LYS80 4.6 33.6 1.0 CD1 A:LEU114 4.7 42.2 1.0 CD2 A:LEU126 4.7 42.0 1.0 NZ A:LYS80 4.8 35.7 1.0 CD2 A:LEU198 4.8 35.3 1.0 CG A:LEU198 4.9 34.2 1.0 N A:ASP195 5.0 26.9 1.0

M.El Bakkouri, W.Tempel, I.E.Crandall, T.Massad, P.Loppnau, S.Graslund, C.Bountra, C.H.Arrowsmith, A.M.Edwards, C.K.Kain, K.M.Shokat, L.D.Sibley, R.Hui, Structural Genomics Consortium (Sgc). Crystal Structure of TGCDPK1 with Inhibitor Bound To Be Published.