Chlorine in PDB 5g08: Crystal Structure of Drosophila Ncs-1 Bound to Chlorpromazine

The structure of Crystal Structure of Drosophila Ncs-1 Bound to Chlorpromazine, PDB code: 5g08 was solved by A.Chaves-Sanjuan, L.Infantes, M.J.Sanchez-Barrena, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.58 / 1.52
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.217, 54.917, 60.210, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 21.6

The structure of Crystal Structure of Drosophila Ncs-1 Bound to Chlorpromazine also contains other interesting chemical elements:

Calcium

(Ca)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of Drosophila Ncs-1 Bound to Chlorpromazine (pdb code 5g08). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Drosophila Ncs-1 Bound to Chlorpromazine, PDB code: 5g08:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Drosophila Ncs-1 Bound to Chlorpromazine


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 Drosophila Ncs-1 Bound to Chlorpromazine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1187 b:57.9 occ:0.50 CL1 A:Z801187 0.0 57.9 0.5 C10 A:Z801187 1.7 39.6 0.5 C11 A:Z801187 2.7 37.1 0.5 C9 A:Z801187 2.7 31.7 0.5 O A:HOH2045 2.8 69.3 1.0 C8 A:Z801187 4.0 33.6 0.5 C4 A:Z801187 4.0 38.8 0.5 O A:LEU182 4.0 57.0 1.0 CZ3 A:TRP103 4.1 44.4 1.0 CH2 A:TRP103 4.3 46.0 1.0 C3 A:Z801187 4.5 40.4 0.5 CG2 A:VAL68 4.6 24.5 1.0 OH A:TYR52 4.6 48.0 1.0 O A:HOH2158 4.6 55.7 1.0 C A:LEU182 4.7 58.5 1.0 CG1 A:VAL68 4.8 24.6 1.0 CZ A:PHE64 4.9 33.0 1.0 CE2 A:PHE64 4.9 32.6 1.0 CB A:LEU182 4.9 47.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Drosophila Ncs-1 Bound to Chlorpromazine


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 Drosophila Ncs-1 Bound to Chlorpromazine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1187 b:49.9 occ:0.50 CL1 A:Z801187 0.0 49.9 0.5 C10 A:Z801187 1.7 38.5 0.5 C11 A:Z801187 2.6 36.9 0.5 C9 A:Z801187 2.6 31.6 0.5 O A:HOH2061 2.7 39.9 1.0 C2 A:EDO1190 3.4 69.5 1.0 CG2 A:ILE51 3.6 43.4 1.0 O A:HOH2033 3.6 42.9 1.0 C16 A:Z801187 3.7 48.3 0.5 O2 A:EDO1190 3.8 65.6 1.0 C8 A:Z801187 3.9 35.0 0.5 C4 A:Z801187 3.9 35.6 0.5 C1 A:EDO1190 4.0 82.0 1.0 CD1 A:PHE55 4.0 35.2 1.0 CB A:PHE55 4.2 31.0 1.0 CG A:PHE55 4.3 31.6 1.0 O A:ILE51 4.3 34.0 1.0 C3 A:Z801187 4.4 36.7 0.5 O1 A:EDO1190 4.6 88.9 1.0 CE1 A:PHE55 4.8 36.8 1.0 N2 A:Z801187 4.9 50.3 0.5 C A:ILE51 5.0 30.5 1.0

A.Mansilla, A.Chaves-Sanjuan, N.E.Campillo, O.Semelidou, L.Martinez-Gonzalez, L.Infantes, J.M.Gonzalez-Rubio, C.Gil, S.Conde, E.M.Skoulakis, A.Ferrus, A.Martinez, M.J.Sanchez-Barrena. Interference of the Complex Between Ncs-1 and RIC8A with Phenothiazines Regulates Synaptic Function and Is An Approach For Fragile X Syndrome. Proc. Natl. Acad. Sci. V. 114 E999 2017U.S.A..
ISSN: ESSN 1091-6490
PubMed: 28119500
DOI: 10.1073/PNAS.1611089114