Chlorine in PDB 4xpt: X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations D121G/S426M and EL2 Deletion of 162-201 in Complex with Substrate Analogue 3,4 Dichlorophen Ethylamine

The structure of X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations D121G/S426M and EL2 Deletion of 162-201 in Complex with Substrate Analogue 3,4 Dichlorophen Ethylamine, PDB code: 4xpt was solved by P.Aravind, K.Wang, E.Gouaux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.60 / 3.36
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	96.614, 139.148, 166.679, 90.00, 90.00, 90.00
R / Rfree (%)	23.2 / 27.3

The structure of X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations D121G/S426M and EL2 Deletion of 162-201 in Complex with Substrate Analogue 3,4 Dichlorophen Ethylamine also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations D121G/S426M and EL2 Deletion of 162-201 in Complex with Substrate Analogue 3,4 Dichlorophen Ethylamine (pdb code 4xpt). 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 and EL2 Deletion of 162-201 in Complex with Substrate Analogue 3,4 Dichlorophen Ethylamine, PDB code: 4xpt:
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 and EL2 Deletion of 162-201 in Complex with Substrate Analogue 3,4 Dichlorophen Ethylamine


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 and EL2 Deletion of 162-201 in Complex with Substrate Analogue 3,4 Dichlorophen Ethylamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:0.4 occ:1.00 CL1 A:42J602 0.0 0.4 1.0 C6 A:42J602 1.8 85.8 1.0 C5 A:42J602 2.8 86.7 1.0 C7 A:42J602 2.8 90.1 1.0 CL A:42J602 3.2 0.8 1.0 CD1 A:PHE325 3.5 0.1 1.0 CA A:GLY425 3.6 92.9 1.0 CB A:ALA117 3.8 90.5 1.0 CA A:ALA117 3.9 90.5 1.0 CB A:VAL120 4.0 95.9 1.0 CG1 A:VAL120 4.0 95.5 1.0 CE1 A:PHE325 4.0 0.8 1.0 C4 A:42J602 4.1 89.5 1.0 C2 A:42J602 4.1 94.6 1.0 CG A:PHE325 4.1 99.3 1.0 O A:ALA117 4.3 91.0 1.0 CG2 A:VAL120 4.3 80.9 1.0 CB A:PHE325 4.4 98.5 1.0 N A:GLY425 4.5 89.9 1.0 C3 A:42J602 4.6 93.8 1.0 C A:ALA117 4.6 98.3 1.0 C A:GLY425 4.7 90.3 1.0 CE1 A:PHE43 4.8 85.6 1.0 CG2 A:VAL327 4.8 87.9 1.0 CZ A:PHE325 4.9 100.0 1.0 O A:GLY425 5.0 86.0 1.0 CD2 A:PHE325 5.0 0.3 1.0 N A:ALA117 5.0 88.8 1.0

Chlorine binding site 2 out of 3 in the X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations D121G/S426M and EL2 Deletion of 162-201 in Complex with Substrate Analogue 3,4 Dichlorophen Ethylamine


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 and EL2 Deletion of 162-201 in Complex with Substrate Analogue 3,4 Dichlorophen Ethylamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:0.8 occ:1.00 CL A:42J602 0.0 0.8 1.0 C5 A:42J602 1.8 86.7 1.0 C6 A:42J602 2.8 85.8 1.0 C4 A:42J602 2.8 89.5 1.0 CL1 A:42J602 3.2 0.4 1.0 CG1 A:VAL120 3.5 95.5 1.0 CA A:SER422 3.8 90.4 1.0 C7 A:42J602 4.1 90.1 1.0 C3 A:42J602 4.1 93.8 1.0 O A:SER421 4.2 78.1 1.0 OG A:SER422 4.2 82.6 1.0 CA A:GLY425 4.2 92.9 1.0 CG A:TYR124 4.3 83.0 1.0 CD2 A:TYR124 4.3 82.8 1.0 CB A:VAL120 4.3 95.9 1.0 CB A:TYR124 4.3 90.7 1.0 O A:SER422 4.4 86.0 1.0 CB A:SER422 4.4 87.7 1.0 N A:SER422 4.5 91.2 1.0 C A:SER422 4.6 87.9 1.0 N A:GLY121 4.6 0.8 1.0 C2 A:42J602 4.6 94.6 1.0 C A:SER421 4.7 86.2 1.0 C A:VAL120 4.7 97.1 1.0 N A:GLY425 4.7 89.9 1.0 CA A:GLY121 4.7 0.1 1.0 CE A:MET426 4.8 1.0 1.0 CD1 A:TYR124 4.9 93.3 1.0 O A:VAL120 4.9 94.3 1.0 CE2 A:TYR124 4.9 91.2 1.0

Chlorine binding site 3 out of 3 in the X-Ray Structure of Drosophila Dopamine Transporter with Subsiteb Mutations D121G/S426M and EL2 Deletion of 162-201 in Complex with Substrate Analogue 3,4 Dichlorophen Ethylamine


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 and EL2 Deletion of 162-201 in Complex with Substrate Analogue 3,4 Dichlorophen Ethylamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl610 b:0.4 occ:1.00 OG A:SER320 2.9 91.9 1.0 OG A:SER356 3.1 95.5 1.0 OH A:TYR69 3.2 93.4 1.0 NE2 A:GLN316 3.4 90.4 1.0 CB A:SER320 3.5 89.3 1.0 CB A:SER356 3.8 90.7 1.0 CE1 A:TYR69 3.8 0.5 1.0 CZ A:TYR69 3.9 0.7 1.0 CD1 A:PHE53 4.1 89.4 1.0 CB A:PHE53 4.2 88.7 1.0 CD A:GLN316 4.3 99.1 1.0 CG A:GLN316 4.3 96.4 1.0 ND2 A:ASN352 4.3 91.9 1.0 CG A:PHE53 4.3 90.1 1.0 ND2 A:ASN49 4.4 96.9 1.0 O A:GLN316 4.8 91.8 1.0 CE1 A:PHE53 4.8 96.8 1.0 NA A:NA611 4.9 89.6 1.0 CA A:SER353 4.9 89.5 1.0 CG A:ASN49 4.9 92.2 1.0 CA A:SER320 4.9 91.1 1.0

K.H.Wang, A.Penmatsa, E.Gouaux. Neurotransmitter and Psychostimulant Recognition By the Dopamine Transporter. Nature 2015.
ISSN: ESSN 1476-4687
PubMed: 25970245
DOI: 10.1038/NATURE14431