Chlorine in PDB 7c67: Crystal Structure of Beta-Glycosides-Binding Protein of Abc Transporter in A Closed State Bound to Cellotriose

The structure of Crystal Structure of Beta-Glycosides-Binding Protein of Abc Transporter in A Closed State Bound to Cellotriose, PDB code: 7c67 was solved by S.P.Kanaujia, M.Chandravanshi, R.Samanta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.670, 109.880, 110.890, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 23.1

The structure of Crystal Structure of Beta-Glycosides-Binding Protein of Abc Transporter in A Closed State Bound to Cellotriose also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Beta-Glycosides-Binding Protein of Abc Transporter in A Closed State Bound to Cellotriose (pdb code 7c67). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Beta-Glycosides-Binding Protein of Abc Transporter in A Closed State Bound to Cellotriose, PDB code: 7c67:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Beta-Glycosides-Binding Protein of Abc Transporter in A Closed State Bound to Cellotriose


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 Beta-Glycosides-Binding Protein of Abc Transporter in A Closed State Bound to Cellotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:24.6 occ:1.00 O A:HOH778 2.8 39.8 1.0 O A:HOH739 3.1 21.5 1.0 N A:ILE194 3.2 22.4 1.0 NE1 A:TRP188 3.3 20.4 1.0 CB A:ILE194 3.7 21.8 1.0 CG1 A:ILE194 3.7 22.6 1.0 CB A:GLU193 3.9 27.0 1.0 N A:VAL195 3.9 21.8 1.0 CA A:ILE194 3.9 22.1 1.0 CE2 A:TRP188 4.1 20.1 1.0 CZ2 A:TRP188 4.1 21.5 1.0 C A:GLU193 4.1 23.3 1.0 CA A:GLU193 4.1 24.9 1.0 O A:VAL195 4.3 22.3 1.0 CD1 A:TYR366 4.4 21.1 1.0 CD A:PRO367 4.4 21.6 1.0 C A:ILE194 4.5 21.7 1.0 CD1 A:TRP188 4.5 20.9 1.0 CG2 A:VAL195 4.6 22.2 1.0 NH2 A:ARG364 4.7 25.1 1.0 CA A:TYR366 4.8 20.4 1.0 CD1 A:ILE194 4.9 24.0 1.0 NE A:ARG364 4.9 23.6 1.0 OE1 A:GLU193 5.0 40.4 1.0 CG A:GLU193 5.0 31.0 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Beta-Glycosides-Binding Protein of Abc Transporter in A Closed State Bound to Cellotriose


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 Beta-Glycosides-Binding Protein of Abc Transporter in A Closed State Bound to Cellotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:39.5 occ:1.00 O A:HOH770 2.8 24.0 1.0 O A:HOH815 2.9 35.9 1.0 O B:HOH773 3.0 41.8 1.0 N A:GLU17 3.4 21.2 1.0 C A:GLN14 3.4 22.6 1.0 N A:ALA16 3.5 19.5 1.0 O A:GLN14 3.7 20.6 1.0 CA A:GLN14 3.8 25.7 1.0 N A:PRO15 3.8 20.1 1.0 CB A:GLN14 3.8 29.1 1.0 CB A:GLU17 3.9 27.9 1.0 CB A:ALA16 4.0 20.8 1.0 CG A:GLU17 4.0 33.3 1.0 CA A:ALA16 4.1 20.2 1.0 CD A:PRO15 4.2 20.7 1.0 C A:ALA16 4.2 20.0 1.0 CA A:GLU17 4.2 23.9 1.0 C A:PRO15 4.3 19.5 1.0 CD A:GLU17 4.4 40.2 1.0 CA A:PRO15 4.6 19.4 1.0 OE1 A:GLU17 4.7 38.8 1.0 CG A:GLN14 4.7 33.4 1.0 O B:HOH739 4.8 30.9 1.0 OE2 A:GLU17 4.9 44.8 1.0 O A:HOH846 4.9 36.2 1.0 NA B:NA502 4.9 33.2 1.0 O A:HOH719 5.0 42.6 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Beta-Glycosides-Binding Protein of Abc Transporter in A Closed State Bound to Cellotriose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Beta-Glycosides-Binding Protein of Abc Transporter in A Closed State Bound to Cellotriose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:29.2 occ:1.00 N B:ILE194 3.3 28.0 1.0 O B:HOH641 3.3 30.1 1.0 NE1 B:TRP188 3.3 25.0 1.0 CB B:ILE194 3.7 27.8 1.0 CG1 B:ILE194 3.8 27.5 1.0 CB B:GLU193 3.8 31.1 0.5 N B:VAL195 3.8 29.8 1.0 CB B:GLU193 3.9 31.9 0.5 CA B:ILE194 4.0 28.4 1.0 CE2 B:TRP188 4.1 23.9 1.0 CZ2 B:TRP188 4.1 23.3 1.0 O B:VAL195 4.2 32.4 1.0 CD B:PRO367 4.2 31.5 1.0 C B:GLU193 4.2 29.8 1.0 CA B:GLU193 4.2 30.1 0.5 CA B:GLU193 4.2 30.5 0.5 CD1 B:TYR366 4.2 24.6 1.0 C B:ILE194 4.4 28.5 1.0 CD1 B:TRP188 4.5 24.7 1.0 CG2 B:VAL195 4.5 30.9 1.0 NH2 B:ARG364 4.7 32.3 1.0 CA B:TYR366 4.7 27.4 1.0 CA B:VAL195 4.9 32.6 1.0 CG B:GLU193 4.9 32.3 0.5 CD1 B:ILE194 4.9 28.1 1.0 CG B:GLU193 5.0 33.6 0.5 CE1 B:TYR366 5.0 22.7 1.0 C B:VAL195 5.0 35.0 1.0

M.Chandravanshi, R.Samanta, S.P.Kanaujia. Conformational Trapping of A Beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of Abc Importers. J.Mol.Biol. V. 432 5711 2020.
ISSN: ESSN 1089-8638
PubMed: 32866452
DOI: 10.1016/J.JMB.2020.08.021