Chlorine in PDB 2qei: Crystal Structure Analysis of Leut Complexed with L-Alanine, Sodium, and Clomipramine

The structure of Crystal Structure Analysis of Leut Complexed with L-Alanine, Sodium, and Clomipramine, PDB code: 2qei was solved by S.K.Singh, A.Yamashita, E.Gouaux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.65 / 1.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	89.787, 86.027, 81.659, 90.00, 95.98, 90.00
R / Rfree (%)	19.5 / 21

The structure of Crystal Structure Analysis of Leut Complexed with L-Alanine, Sodium, and Clomipramine also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure Analysis of Leut Complexed with L-Alanine, Sodium, and Clomipramine (pdb code 2qei). 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 Analysis of Leut Complexed with L-Alanine, Sodium, and Clomipramine, PDB code: 2qei:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure Analysis of Leut Complexed with L-Alanine, Sodium, and Clomipramine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure Analysis of Leut Complexed with L-Alanine, Sodium, and Clomipramine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:37.5 occ:1.00 CL2 A:CXX801 0.0 37.5 1.0 C2 A:CXX801 1.7 35.0 1.0 C1 A:CXX801 2.7 34.2 1.0 C3 A:CXX801 2.7 33.5 1.0 NE2 A:GLN34 3.0 48.0 1.0 O A:HOH874 3.5 62.4 1.0 CD A:GLN34 3.6 44.0 1.0 NH2 A:ARG30 3.7 38.0 1.0 OE1 A:GLN34 3.8 46.8 1.0 CZ A:ARG30 4.0 36.4 1.0 O A:HOH847 4.0 43.6 1.0 NE A:ARG30 4.0 33.9 1.0 C4 A:CXX801 4.0 34.7 1.0 C14 A:CXX801 4.0 34.1 1.0 O A:HOH816 4.2 41.5 1.0 CG A:GLN34 4.5 39.7 1.0 C13 A:CXX801 4.6 34.5 1.0 CG A:ARG30 4.6 28.5 1.0 NH1 A:ARG30 4.7 34.5 1.0 OD2 A:ASP404 4.8 27.8 1.0 CD A:ARG30 4.9 30.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure Analysis of Leut Complexed with L-Alanine, Sodium, and Clomipramine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure Analysis of Leut Complexed with L-Alanine, Sodium, and Clomipramine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl802 b:66.9 occ:1.00 CL2 A:CXX802 0.0 66.9 1.0 C2 A:CXX802 1.7 66.8 1.0 C1 A:CXX802 2.7 66.6 1.0 C3 A:CXX802 2.7 65.9 1.0 CZ A:PHE350 3.6 35.3 1.0 CE1 A:PHE350 3.8 35.8 1.0 C4 A:CXX802 4.0 66.2 1.0 C14 A:CXX802 4.1 66.4 1.0 CE1 A:PHE194 4.4 32.0 1.0 C13 A:CXX802 4.6 66.2 1.0 CE2 A:PHE350 4.8 35.2 1.0

S.K.Singh, A.Yamashita, E.Gouaux. Antidepressant Binding Site in A Bacterial Homologue of Neurotransmitter Transporters. Nature V. 448 952 2007.
ISSN: ISSN 0028-0836
PubMed: 17687333
DOI: 10.1038/NATURE06038