Chlorine in PDB 4xph: X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations (D121G/S426M) Bound to 3,4DICHLOROPHENETHYLAMINE

The structure of X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations (D121G/S426M) Bound to 3,4DICHLOROPHENETHYLAMINE, PDB code: 4xph was solved by A.Penmatsa, K.Wang, E.Gouaux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.11 / 2.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	97.968, 144.665, 165.666, 90.00, 90.00, 90.00
R / Rfree (%)	24 / 27.7

The structure of X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations (D121G/S426M) Bound to 3,4DICHLOROPHENETHYLAMINE also contains other interesting chemical elements:

Sodium

(Na)

3 atoms

The binding sites of Chlorine atom in the X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations (D121G/S426M) Bound to 3,4DICHLOROPHENETHYLAMINE (pdb code 4xph). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations (D121G/S426M) Bound to 3,4DICHLOROPHENETHYLAMINE, PDB code: 4xph:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations (D121G/S426M) Bound to 3,4DICHLOROPHENETHYLAMINE


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations (D121G/S426M) Bound to 3,4DICHLOROPHENETHYLAMINE within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:0.5 occ:1.00 CL1 A:42J602 0.0 0.5 1.0 C6 A:42J602 1.8 88.8 1.0 C5 A:42J602 2.7 92.1 1.0 C7 A:42J602 2.8 85.6 1.0 CL A:42J602 3.1 0.5 1.0 CD1 A:PHE325 3.4 91.5 1.0 CA A:GLY425 3.6 82.8 1.0 CG A:PHE325 3.8 93.2 1.0 CE1 A:PHE325 3.9 88.8 1.0 CB A:ALA117 4.0 86.3 1.0 C4 A:42J602 4.0 84.5 1.0 C2 A:42J602 4.1 87.8 1.0 CA A:ALA117 4.1 88.6 1.0 CB A:PHE325 4.1 88.9 1.0 CG1 A:VAL120 4.2 85.0 1.0 CB A:VAL120 4.2 77.1 1.0 N A:GLY425 4.4 84.3 1.0 O A:ALA117 4.5 86.9 1.0 CG2 A:VAL120 4.5 78.8 1.0 C3 A:42J602 4.6 84.9 1.0 CE1 A:PHE43 4.6 81.4 1.0 CG2 A:VAL327 4.6 82.7 1.0 CD2 A:PHE325 4.6 86.1 1.0 CZ A:PHE325 4.7 91.3 1.0 C A:GLY425 4.8 83.0 1.0 C A:ALA117 4.8 83.7 1.0

Chlorine binding site 2 out of 3 in the X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations (D121G/S426M) Bound to 3,4DICHLOROPHENETHYLAMINE


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations (D121G/S426M) Bound to 3,4DICHLOROPHENETHYLAMINE within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:0.5 occ:1.00 CL A:42J602 0.0 0.5 1.0 C5 A:42J602 1.8 92.1 1.0 C6 A:42J602 2.8 88.8 1.0 C4 A:42J602 2.8 84.5 1.0 CL1 A:42J602 3.1 0.5 1.0 CG1 A:VAL120 3.6 85.0 1.0 O A:SER421 3.9 79.0 1.0 CA A:SER422 4.0 79.8 1.0 C7 A:42J602 4.1 85.6 1.0 C3 A:42J602 4.1 84.9 1.0 CA A:GLY425 4.3 82.8 1.0 CB A:VAL120 4.4 77.1 1.0 CG A:TYR124 4.4 82.4 1.0 CB A:TYR124 4.4 85.3 1.0 C A:SER421 4.4 76.4 1.0 CD2 A:TYR124 4.4 77.8 1.0 N A:SER422 4.5 81.8 1.0 O A:SER422 4.5 83.5 1.0 C2 A:42J602 4.6 87.8 1.0 N A:GLY425 4.7 84.3 1.0 OG A:SER422 4.7 89.6 1.0 C A:SER422 4.7 79.8 1.0 CB A:SER422 4.8 83.4 1.0 C A:VAL120 4.9 85.4 1.0

Chlorine binding site 3 out of 3 in the X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations (D121G/S426M) Bound to 3,4DICHLOROPHENETHYLAMINE


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations (D121G/S426M) Bound to 3,4DICHLOROPHENETHYLAMINE within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl605 b:82.6 occ:1.00 OG A:SER356 2.9 80.0 1.0 OG A:SER320 2.9 80.3 1.0 OH A:TYR69 3.2 85.6 1.0 NE2 A:GLN316 3.4 80.6 1.0 CB A:SER320 3.5 84.4 1.0 CB A:SER356 3.7 80.4 1.0 ND2 A:ASN49 4.0 77.5 1.0 CZ A:TYR69 4.1 86.3 1.0 CE1 A:TYR69 4.1 90.3 1.0 CD1 A:PHE53 4.1 76.0 1.0 ND2 A:ASN352 4.2 77.2 1.0 CD A:GLN316 4.2 84.6 1.0 CG A:GLN316 4.3 87.3 1.0 CB A:PHE53 4.3 78.1 1.0 CG A:PHE53 4.4 81.4 1.0 CG A:ASN49 4.7 77.3 1.0 CE1 A:PHE53 4.8 76.7 1.0 NA A:NA603 4.9 85.2 1.0 CA A:SER353 4.9 79.1 1.0 CA A:ASN49 4.9 76.3 1.0 CA A:SER320 5.0 87.6 1.0 O A:ASN352 5.0 81.5 1.0

K.Wang, A.Penmatsa, E.Gouaux. Structural Basis For Neurotransmitter and Psychostimulant Recognition By the Drosophila Dopamine Transporter Nature 2015.
ISSN: ESSN 1476-4687