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Chlorine in PDB 3v51: Calcium-Dependent Protein Kinase 1 From Toxoplasma Gondii (TGCDPK1) in Complex with Inhibitor Rm-1-176

Enzymatic activity of Calcium-Dependent Protein Kinase 1 From Toxoplasma Gondii (TGCDPK1) in Complex with Inhibitor Rm-1-176

All present enzymatic activity of Calcium-Dependent Protein Kinase 1 From Toxoplasma Gondii (TGCDPK1) in Complex with Inhibitor Rm-1-176:
2.7.11.17;

Protein crystallography data

The structure of Calcium-Dependent Protein Kinase 1 From Toxoplasma Gondii (TGCDPK1) in Complex with Inhibitor Rm-1-176, PDB code: 3v51 was solved by E.A.Merritt, E.T.Larson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.23 / 1.95
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 48.317, 72.619, 67.356, 90.00, 103.90, 90.00
R / Rfree (%) 19.7 / 23.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Calcium-Dependent Protein Kinase 1 From Toxoplasma Gondii (TGCDPK1) in Complex with Inhibitor Rm-1-176 (pdb code 3v51). 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 Calcium-Dependent Protein Kinase 1 From Toxoplasma Gondii (TGCDPK1) in Complex with Inhibitor Rm-1-176, PDB code: 3v51:

Chlorine binding site 1 out of 1 in 3v51

Go back to Chlorine Binding Sites List in 3v51
Chlorine binding site 1 out of 1 in the Calcium-Dependent Protein Kinase 1 From Toxoplasma Gondii (TGCDPK1) in Complex with Inhibitor Rm-1-176


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Calcium-Dependent Protein Kinase 1 From Toxoplasma Gondii (TGCDPK1) in Complex with Inhibitor Rm-1-176 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl701

b:34.1
occ:1.00
 CLD A:I76701 0.0 34.1 1.0
CAU A:I76701 1.7 24.2 1.0
CAM A:I76701 2.7 21.4 1.0
CAF A:I76701 2.7 24.9 1.0
O A:GLY197 3.2 23.6 1.0
C A:GLY197 3.3 23.3 1.0
CD2 A:HIS201 3.6 29.3 1.0
CD1 A:LEU103 3.8 29.9 1.0
N A:LEU198 3.8 22.1 1.0
CA A:GLY197 3.8 25.6 1.0
CAV A:I76701 4.0 23.3 1.0
CAE A:I76701 4.0 24.1 1.0
CG A:GLU99 4.0 36.5 1.0
CA A:LEU198 4.1 22.5 1.0
O A:PHE196 4.3 26.7 1.0
CD2 A:LEU198 4.3 26.3 1.0
CG A:HIS201 4.4 24.4 1.0
CAG A:I76701 4.5 19.0 1.0
NE2 A:HIS201 4.5 27.5 1.0
CB A:GLU99 4.7 35.0 1.0
CD1 A:LEU96 4.7 26.9 1.0
CB A:HIS201 4.7 25.6 1.0
CG A:LEU198 4.8 25.9 1.0
N A:GLY197 4.9 24.5 1.0

Reference:

E.T.Larson, K.K.Ojo, R.C.Murphy, S.M.Johnson, Z.Zhang, J.E.Kim, D.J.Leibly, A.M.Fox, M.C.Reid, E.J.Dale, B.G.Perera, J.Kim, S.N.Hewitt, W.G.Hol, C.L.Verlinde, E.Fan, W.C.Van Voorhis, D.J.Maly, E.A.Merritt. Multiple Determinants For Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem. V. 55 2803 2012.
ISSN: ISSN 0022-2623
PubMed: 22369268
DOI: 10.1021/JM201725V
Page generated: Sat Dec 12 10:16:43 2020

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