Chlorine in PDB 7psz: Crystal Structure of Cam in Complex with Cdz (Form 1)

The structure of Crystal Structure of Cam in Complex with Cdz (Form 1), PDB code: 7psz was solved by A.E.Mechaly, C.Leger, A.Haouz, A.Chenal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.39 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	66.848, 36.127, 68.382, 90, 116.74, 90
R / Rfree (%)	22.3 / 25.1

The structure of Crystal Structure of Cam in Complex with Cdz (Form 1) also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of Cam in Complex with Cdz (Form 1) (pdb code 7psz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Cam in Complex with Cdz (Form 1), PDB code: 7psz:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Crystal Structure of Cam in Complex with Cdz (Form 1)


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 Cam in Complex with Cdz (Form 1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:61.3 occ:0.76 CL1 A:85H201 0.0 61.3 0.8 C10 A:85H201 1.7 60.2 0.8 C11 A:85H201 2.7 59.7 0.8 C9 A:85H201 2.7 59.6 0.8 CL2 A:85H201 3.5 54.3 0.8 CG1 A:ILE85 3.5 42.7 1.0 C21 A:85H201 3.7 53.5 0.8 C12 A:85H201 4.0 59.0 0.8 C8 A:85H201 4.0 58.9 0.8 O A:GLU84 4.1 40.1 1.0 CA A:ILE85 4.1 40.2 1.0 C20 A:85H201 4.1 53.3 0.8 N A:ILE85 4.1 40.1 1.0 C A:GLU84 4.2 40.4 1.0 C22 A:85H201 4.2 53.0 0.8 CB A:GLU84 4.3 44.0 1.0 CB A:ILE85 4.5 41.5 1.0 C7 A:85H201 4.5 58.3 0.8 CE A:MET145 4.5 71.5 1.0 CD1 A:ILE85 4.6 44.1 1.0 CB A:ALA88 4.8 35.5 1.0 CA A:GLU84 4.9 41.4 1.0 C19 A:85H201 5.0 52.7 0.8

Chlorine binding site 2 out of 6 in the Crystal Structure of Cam in Complex with Cdz (Form 1)


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 Cam in Complex with Cdz (Form 1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:57.7 occ:0.76 CL A:85H201 0.0 57.7 0.8 C A:85H201 1.7 57.6 0.8 C5 A:85H201 2.7 57.3 0.8 C1 A:85H201 2.7 57.6 0.8 CZ A:PHE68 3.4 35.3 1.0 CB A:ALA15 3.5 30.6 1.0 CE A:MET72 3.9 60.2 1.0 C4 A:85H201 4.0 57.3 0.8 C2 A:85H201 4.0 57.6 0.8 CE1 A:PHE68 4.2 35.4 1.0 SD A:MET72 4.3 62.1 1.0 CE2 A:PHE68 4.3 35.2 1.0 CE2 A:PHE19 4.4 35.1 1.0 C3 A:85H201 4.5 57.2 0.8 CA A:ALA15 4.6 30.3 1.0 O A:ALA15 4.8 31.3 1.0 C A:ALA15 4.8 30.5 1.0

Chlorine binding site 3 out of 6 in the Crystal Structure of Cam in Complex with Cdz (Form 1)


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 Cam in Complex with Cdz (Form 1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:49.5 occ:0.76 CL4 A:85H201 0.0 49.5 0.8 C27 A:85H201 1.7 49.3 0.8 C28 A:85H201 2.7 49.1 0.8 C26 A:85H201 2.7 49.4 0.8 CD1 A:ILE27 3.4 30.4 1.0 CD1 A:PHE68 3.8 34.2 1.0 CE1 A:PHE68 3.8 35.4 1.0 C29 A:85H201 4.0 49.6 0.8 C25 A:85H201 4.0 49.6 0.8 CG A:PHE19 4.0 34.1 1.0 CD1 A:PHE19 4.1 34.5 1.0 CD1 A:ILE63 4.1 36.0 1.0 CG2 A:ILE27 4.2 28.8 1.0 CD2 A:PHE19 4.2 34.2 1.0 CE A:MET71 4.2 39.2 1.0 CE1 A:PHE19 4.3 35.5 1.0 CE2 A:PHE19 4.5 35.1 1.0 C24 A:85H201 4.5 50.1 0.8 CB A:PHE19 4.5 32.9 1.0 CZ A:PHE19 4.5 35.2 1.0 CG1 A:ILE27 4.6 29.6 1.0 CD1 A:LEU32 4.6 32.3 1.0 SD A:MET71 4.6 42.3 1.0 CB A:ILE27 4.7 29.1 1.0 CG2 A:ILE63 4.9 33.7 1.0

Chlorine binding site 4 out of 6 in the Crystal Structure of Cam in Complex with Cdz (Form 1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Cam in Complex with Cdz (Form 1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:50.1 occ:0.76 CL5 A:85H201 0.0 50.1 0.8 C29 A:85H201 1.7 49.6 0.8 C28 A:85H201 2.7 49.1 0.8 C24 A:85H201 2.7 50.1 0.8 O A:HOH329 2.9 50.5 1.0 C16 A:85H201 3.1 51.3 0.8 O A:MET51 3.3 35.3 1.0 C15 A:85H201 3.5 52.8 0.8 CB A:MET51 3.6 35.6 1.0 C A:MET51 3.6 34.8 1.0 CG2 A:VAL55 3.9 43.5 1.0 C27 A:85H201 3.9 49.3 0.8 C25 A:85H201 4.0 49.6 0.8 CA A:MET51 4.1 34.3 1.0 CD2 A:LEU32 4.2 32.7 1.0 N A:ILE52 4.3 34.6 1.0 O A:85H201 4.5 51.2 0.8 C26 A:85H201 4.5 49.4 0.8 CE A:MET51 4.5 43.2 1.0 N1 A:85H201 4.5 54.0 0.8 SD A:MET71 4.6 42.3 1.0 CG A:MET51 4.7 39.9 1.0 CD1 A:ILE63 4.7 36.0 1.0 CA A:ILE52 4.7 34.9 1.0 CB A:VAL55 4.9 43.5 1.0 C17 A:85H201 4.9 51.6 0.8 C14 A:85H201 4.9 54.6 0.8

Chlorine binding site 5 out of 6 in the Crystal Structure of Cam in Complex with Cdz (Form 1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Cam in Complex with Cdz (Form 1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:54.3 occ:0.76 CL2 A:85H201 0.0 54.3 0.8 C21 A:85H201 1.7 53.5 0.8 C22 A:85H201 2.7 53.0 0.8 C20 A:85H201 2.7 53.3 0.8 CL1 A:85H201 3.5 61.3 0.8 CG A:GLN41 3.8 45.2 1.0 O A:GLU84 3.9 40.1 1.0 CB A:LEU39 3.9 46.0 1.0 C23 A:85H201 4.0 52.5 0.8 C19 A:85H201 4.0 52.7 0.8 OE1 A:GLN41 4.2 52.8 1.0 CB A:GLU84 4.2 44.0 1.0 O A:LEU39 4.2 46.2 1.0 CD A:GLN41 4.3 50.4 1.0 CD1 A:LEU39 4.3 49.0 1.0 CB A:ALA88 4.4 35.5 1.0 C A:GLU84 4.5 40.4 1.0 C18 A:85H201 4.5 52.1 0.8 C10 A:85H201 4.6 60.2 0.8 CG A:GLU84 4.7 51.4 1.0 CA A:GLU84 4.7 41.4 1.0 CG A:LEU39 4.8 48.1 1.0 C11 A:85H201 4.8 59.7 0.8 OE2 A:GLU84 4.8 62.2 1.0 C A:LEU39 4.9 45.4 1.0

Chlorine binding site 6 out of 6 in the Crystal Structure of Cam in Complex with Cdz (Form 1)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Cam in Complex with Cdz (Form 1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:52.6 occ:0.76 CL3 A:85H201 0.0 52.6 0.8 C23 A:85H201 1.7 52.5 0.8 C22 A:85H201 2.7 53.0 0.8 C18 A:85H201 2.7 52.1 0.8 C17 A:85H201 3.1 51.6 0.8 CE1 A:PHE19 3.5 35.5 1.0 CZ A:PHE19 3.6 35.2 1.0 O A:85H201 3.7 51.2 0.8 C25 A:85H201 3.8 49.6 0.8 CG A:MET36 3.9 34.6 1.0 C21 A:85H201 4.0 53.5 0.8 C19 A:85H201 4.0 52.7 0.8 C26 A:85H201 4.3 49.4 0.8 CD1 A:LEU32 4.3 32.3 1.0 CG1 A:VAL35 4.4 33.9 1.0 C20 A:85H201 4.5 53.3 0.8 C11 A:85H201 4.5 59.7 0.8 C24 A:85H201 4.6 50.1 0.8 C12 A:85H201 4.6 59.0 0.8 SD A:MET36 4.7 39.3 1.0 C16 A:85H201 4.7 51.3 0.8 CD1 A:PHE19 4.8 34.5 1.0 CD1 A:LEU39 4.9 49.0 1.0 CE2 A:PHE19 5.0 35.1 1.0

C.Leger, I.Pitard, M.Sadi, N.Carvalho, S.Brier, A.Mechaly, D.Raoux-Barbot, M.Davi, S.Hoos, P.Weber, P.Vachette, D.Durand, A.Haouz, J.I.Guijarro, D.Ladant, A.Chenal. Dynamics and Structural Changes of Calmodulin Upon Interaction with the Antagonist Calmidazolium. Bmc Biol. V. 20 176 2022.
ISSN: ESSN 1741-7007
PubMed: 35945584
DOI: 10.1186/S12915-022-01381-5