Chlorine in PDB 9jqi: Crystal Structure of Calmodulin in Complex with KN93 (1:1 Complex)

The structure of Crystal Structure of Calmodulin in Complex with KN93 (1:1 Complex), PDB code: 9jqi was solved by X.C.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.75 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	69.336, 40.264, 173.413, 90, 92.47, 90
R / Rfree (%)	24.8 / 28.8

The structure of Crystal Structure of Calmodulin in Complex with KN93 (1:1 Complex) also contains other interesting chemical elements:

Calcium

(Ca)

12 atoms

The binding sites of Chlorine atom in the Crystal Structure of Calmodulin in Complex with KN93 (1:1 Complex) (pdb code 9jqi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Calmodulin in Complex with KN93 (1:1 Complex), PDB code: 9jqi:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Calmodulin in Complex with KN93 (1:1 Complex)


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 Calmodulin in Complex with KN93 (1:1 Complex) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:51.0 occ:1.00 CL A:KN9205 0.0 51.0 1.0 C8 A:KN9205 1.7 41.9 1.0 C7 A:KN9205 2.7 31.5 1.0 C9 A:KN9205 2.7 30.6 1.0 CG2 A:ILE100 3.6 22.1 1.0 CD1 A:ILE100 3.6 20.5 1.0 CD2 A:LEU105 3.7 30.7 1.0 CG2 A:VAL136 3.8 19.6 1.0 CB A:VAL136 3.8 20.2 1.0 CB A:ILE100 3.9 22.4 1.0 C6 A:KN9205 4.0 34.9 1.0 C10 A:KN9205 4.0 36.7 1.0 CG1 A:VAL136 4.1 19.8 1.0 CD1 A:ILE125 4.3 24.7 1.0 CG1 A:ILE100 4.4 17.8 1.0 CD1 A:LEU105 4.4 33.2 1.0 C5 A:KN9205 4.5 43.6 1.0 CG A:LEU105 4.6 26.9 1.0 CD1 A:PHE141 4.8 22.8 1.0 CB A:LEU105 4.9 22.2 1.0 CB A:ALA128 4.9 24.8 1.0 CD1 A:PHE92 4.9 27.2 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Calmodulin in Complex with KN93 (1:1 Complex)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Calmodulin in Complex with KN93 (1:1 Complex) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl205 b:54.5 occ:1.00 CL B:KN9205 0.0 54.5 1.0 C8 B:KN9205 1.7 45.1 1.0 C7 B:KN9205 2.7 43.4 1.0 C9 B:KN9205 2.7 43.7 1.0 CG2 B:ILE100 3.5 19.8 1.0 CD1 B:ILE100 3.6 17.6 1.0 CD2 B:LEU105 3.9 44.5 1.0 CB B:ILE100 3.9 19.7 1.0 CG2 B:VAL136 3.9 17.3 1.0 C10 B:KN9205 4.0 53.8 1.0 C6 B:KN9205 4.0 46.8 1.0 CB B:VAL136 4.0 28.8 1.0 CG1 B:VAL136 4.3 14.6 1.0 CG1 B:ILE100 4.3 18.0 1.0 CD1 B:LEU105 4.4 31.5 1.0 C5 B:KN9205 4.5 58.5 1.0 CD1 B:PHE141 4.5 25.3 1.0 CG B:LEU105 4.6 34.9 1.0 CD1 B:ILE125 4.6 29.1 1.0 CD1 B:PHE92 4.6 33.8 1.0 CG B:PHE92 4.8 31.3 1.0 CB B:LEU105 4.8 25.1 1.0 CE1 B:PHE141 4.9 35.5 1.0 CE1 B:PHE92 5.0 34.3 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Calmodulin in Complex with KN93 (1:1 Complex)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Calmodulin in Complex with KN93 (1:1 Complex) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl205 b:64.5 occ:1.00 CL C:KN9205 0.0 64.5 1.0 C8 C:KN9205 1.7 63.5 1.0 C7 C:KN9205 2.7 62.2 1.0 C9 C:KN9205 2.7 62.5 1.0 CD1 C:ILE63 3.3 35.1 1.0 CD1 C:ILE27 3.4 24.6 1.0 CG2 C:ILE27 3.9 31.9 1.0 C6 C:KN9205 4.0 64.0 1.0 C10 C:KN9205 4.0 64.8 1.0 CG2 C:ILE63 4.0 30.2 1.0 CD2 C:PHE68 4.0 44.9 1.0 CB C:ILE27 4.1 30.9 1.0 CB C:ILE63 4.1 32.2 1.0 CE C:MSE71 4.2 60.1 1.0 CG1 C:ILE63 4.2 29.8 1.0 CE2 C:PHE68 4.3 36.8 1.0 CG1 C:ILE27 4.3 32.0 1.0 C5 C:KN9205 4.5 67.5 1.0 SE C:MSE71 4.8 101.2 1.0 CD1 C:PHE19 4.8 43.0 1.0 CD1 C:LEU32 4.9 34.8 1.0 CG C:PHE19 4.9 36.9 1.0 CG2 C:VAL55 5.0 44.0 1.0

X.C.Liu, X.C.Liu. N/A N/A.