Chlorine in PDB 2q6h: Crystal Structure Analysis of Leut Complexed with L-Leucine, Sodium, and Clomipramine

The structure of Crystal Structure Analysis of Leut Complexed with L-Leucine, Sodium, and Clomipramine, PDB code: 2q6h 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)	50.00 / 1.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	88.080, 86.360, 80.770, 90.00, 95.71, 90.00
R / Rfree (%)	19.8 / 21.8

The structure of Crystal Structure Analysis of Leut Complexed with L-Leucine, 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-Leucine, Sodium, and Clomipramine (pdb code 2q6h). 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-Leucine, Sodium, and Clomipramine, PDB code: 2q6h:
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-Leucine, 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-Leucine, Sodium, and Clomipramine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:43.3 occ:1.00 CL2 A:CXX801 0.0 43.3 1.0 C2 A:CXX801 1.7 43.6 1.0 C1 A:CXX801 2.7 42.7 1.0 C3 A:CXX801 2.7 43.0 1.0 NE2 A:GLN34 3.1 48.6 1.0 O A:HOH944 3.2 52.3 1.0 CD A:GLN34 3.6 44.8 1.0 OE1 A:GLN34 3.8 45.3 1.0 NH2 A:ARG30 3.9 37.6 1.0 C4 A:CXX801 4.0 44.1 1.0 C14 A:CXX801 4.0 43.3 1.0 CZ A:ARG30 4.1 36.4 1.0 O A:HOH1032 4.1 46.4 1.0 O A:HOH1030 4.1 63.0 1.0 NE A:ARG30 4.3 34.2 1.0 O A:HOH1033 4.3 50.3 1.0 C13 A:CXX801 4.6 44.3 1.0 CG A:GLN34 4.7 42.0 1.0 NH1 A:ARG30 4.7 35.2 1.0 CG A:ARG30 4.7 30.7 1.0 O A:HOH957 4.7 47.5 1.0 OD2 A:ASP404 4.8 26.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure Analysis of Leut Complexed with L-Leucine, 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-Leucine, Sodium, and Clomipramine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl802 b:74.8 occ:1.00 CL2 A:CXX802 0.0 74.8 1.0 C2 A:CXX802 1.7 74.7 1.0 C3 A:CXX802 2.7 74.9 1.0 C1 A:CXX802 2.7 75.1 1.0 CE1 A:PHE350 3.5 34.9 1.0 CZ A:PHE350 3.8 33.7 1.0 C4 A:CXX802 4.0 75.3 1.0 CE1 A:PHE194 4.0 31.0 1.0 C14 A:CXX802 4.1 75.5 1.0 CZ A:PHE194 4.4 30.6 1.0 C13 A:CXX802 4.6 75.4 1.0 CD2 A:LEU353 4.6 23.1 1.0 CD1 A:PHE350 4.7 32.4 1.0 CE2 A:PHE349 4.8 24.0 1.0 CG2 A:ILE178 4.9 28.0 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