Chlorine in PDB 5fyx: Crystal Structure of Drosophila Ncs-1 Bound to Penothiazine FD16

The structure of Crystal Structure of Drosophila Ncs-1 Bound to Penothiazine FD16, PDB code: 5fyx was solved by L.Martinez-Gonzalez, 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)	44.70 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.057, 62.997, 63.425, 90.00, 90.00, 90.00
R / Rfree (%)	22.8 / 25.2

The structure of Crystal Structure of Drosophila Ncs-1 Bound to Penothiazine FD16 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 Penothiazine FD16 (pdb code 5fyx). 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 Drosophila Ncs-1 Bound to Penothiazine FD16, PDB code: 5fyx:

Chlorine binding site 1 out of 1 in the Crystal Structure of Drosophila Ncs-1 Bound to Penothiazine FD16


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 Penothiazine FD16 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1195 b:0.8 occ:0.80 CLAB A:FD61195 0.0 0.8 0.8 CAR A:FD61195 1.7 84.5 0.8 CAE A:FD61195 2.7 77.9 0.8 CAI A:FD61195 2.7 80.2 0.8 CAH A:FD61195 4.0 77.7 0.8 CAV A:FD61195 4.0 84.5 0.8 CAN A:FD61195 4.2 67.4 0.8 CAT A:FD61195 4.5 82.1 0.8 O A:HOH2080 4.5 71.4 1.0 NAP A:FD61195 4.5 66.5 0.8 OG A:SER183 4.7 82.6 1.0 CB A:SER183 4.8 80.4 1.0 NAX A:FD61195 4.9 70.6 0.8

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