Chlorine in PDB 4doj: Crystal Structure of Betp in Outward-Facing Conformation

The structure of Crystal Structure of Betp in Outward-Facing Conformation, PDB code: 4doj was solved by C.Perez, C.Ziegler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.80 / 3.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	117.440, 129.320, 184.860, 90.00, 90.00, 90.00
R / Rfree (%)	24.9 / 29.7

The binding sites of Chlorine atom in the Crystal Structure of Betp in Outward-Facing Conformation (pdb code 4doj). 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 of Betp in Outward-Facing Conformation, PDB code: 4doj:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Betp in Outward-Facing Conformation


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 Betp in Outward-Facing Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:1.0 occ:1.00 CB B:SER354 3.1 68.9 1.0 OD1 A:ASN177 3.3 77.9 1.0 N A:GLY179 3.4 51.1 1.0 CA A:GLY179 3.5 50.8 1.0 CA B:SER354 4.1 72.8 1.0 OG B:SER354 4.2 66.0 1.0 CB B:ALA355 4.2 56.0 1.0 CA B:ALA355 4.3 63.3 1.0 CG A:ASN177 4.4 78.4 1.0 C A:VAL178 4.5 67.8 1.0 OD1 A:ASN339 4.5 58.1 1.0 N A:VAL178 4.7 69.3 1.0 CB A:VAL178 4.8 70.0 1.0 C A:GLY179 4.8 50.9 1.0 CA A:VAL178 4.9 71.4 1.0 N B:ALA355 5.0 66.2 1.0 C B:SER354 5.0 80.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Betp in Outward-Facing Conformation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Betp in Outward-Facing Conformation within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl602 b:57.2 occ:1.00 CG1 C:ILE549 3.3 78.1 1.0 N C:ARG126 3.4 31.3 1.0 NH1 C:ARG210 3.5 26.1 1.0 NH2 C:ARG210 3.5 20.5 1.0 CB C:ARG126 3.6 35.8 1.0 CG2 C:ILE130 3.8 32.7 1.0 CD1 C:ILE549 3.8 77.7 1.0 N C:ASP131 3.8 38.5 1.0 CZ C:ARG210 3.9 26.8 1.0 CA C:ILE130 4.1 37.4 1.0 CA C:ARG126 4.1 34.0 1.0 CA C:ILE125 4.3 32.9 1.0 CB C:ILE549 4.3 79.5 1.0 C C:ILE125 4.3 35.8 1.0 CB C:ILE130 4.4 42.0 1.0 CG2 C:ILE549 4.5 81.0 1.0 C C:ILE130 4.5 35.3 1.0 O C:ARG126 4.6 43.5 1.0 O C:THR124 4.7 28.6 1.0 CG1 C:ILE130 4.7 36.5 1.0 CA C:ASP131 4.8 35.5 1.0 C C:ARG126 4.9 39.8 1.0 CG C:ARG126 5.0 35.9 1.0

C.Perez, C.Koshy, O.Yildiz, C.Ziegler. Alternating-Access Mechanism in Conformationally Asymmetric Trimers of the Betaine Transporter Betp. Nature V. 490 126 2012.
ISSN: ISSN 0028-0836
PubMed: 22940865
DOI: 10.1038/NATURE11403