Chlorine in PDB 7c71: Crystal Structure of Beta-Glycosides-Binding Protein (E117A) of Abc Transporter in An Open State

The structure of Crystal Structure of Beta-Glycosides-Binding Protein (E117A) of Abc Transporter in An Open State, PDB code: 7c71 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)	55.55 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.400, 100.960, 66.520, 90.00, 104.60, 90.00
R / Rfree (%)	17.9 / 24.4

The binding sites of Chlorine atom in the Crystal Structure of Beta-Glycosides-Binding Protein (E117A) of Abc Transporter in An Open State (pdb code 7c71). 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 (E117A) of Abc Transporter in An Open State, PDB code: 7c71:
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 (E117A) of Abc Transporter in An Open State


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 (E117A) of Abc Transporter in An Open State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:11.0 occ:1.00 O A:HOH714 3.1 23.2 1.0 N A:ILE194 3.2 13.6 1.0 O A:HOH681 3.4 12.7 1.0 NE1 A:TRP188 3.4 8.9 1.0 CD1 A:ILE194 3.6 13.3 1.0 CD A:PRO367 3.8 12.3 1.0 CB A:GLU193 3.9 15.9 1.0 CB A:ILE194 3.9 13.0 1.0 CZ2 A:TRP188 4.0 8.8 1.0 N A:VAL195 4.0 14.9 1.0 CA A:ILE194 4.0 13.6 1.0 CE2 A:TRP188 4.1 8.8 1.0 CA A:GLU193 4.1 14.7 1.0 C A:GLU193 4.1 14.4 1.0 CG1 A:ILE194 4.3 13.0 1.0 CD1 A:TYR366 4.4 12.8 1.0 O A:VAL195 4.4 15.7 1.0 C A:ILE194 4.6 13.8 1.0 CD1 A:TRP188 4.6 8.9 1.0 NH2 A:ARG364 4.6 13.5 1.0 CA A:TYR366 4.6 11.8 1.0 CG A:PRO367 4.7 12.7 1.0 CG2 A:VAL195 4.8 15.8 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Beta-Glycosides-Binding Protein (E117A) of Abc Transporter in An Open State


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 (E117A) of Abc Transporter in An Open State within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:14.1 occ:1.00 O B:HOH732 3.1 12.4 1.0 O B:HOH657 3.2 19.1 1.0 NE1 B:TRP188 3.3 11.6 1.0 N B:ILE194 3.3 13.9 1.0 CD1 B:ILE194 3.8 15.0 1.0 CD B:PRO367 3.8 14.7 1.0 CB B:GLU193 3.8 14.8 1.0 CE2 B:TRP188 4.0 11.2 1.0 N B:VAL195 4.0 15.3 1.0 CZ2 B:TRP188 4.0 11.4 1.0 CA B:GLU193 4.0 14.3 1.0 CB B:ILE194 4.0 14.2 1.0 C B:GLU193 4.1 14.1 1.0 CA B:ILE194 4.2 14.1 1.0 O B:VAL195 4.3 17.4 1.0 CG1 B:ILE194 4.4 14.5 1.0 CD1 B:TRP188 4.4 11.4 1.0 NH2 B:ARG364 4.5 16.3 1.0 C B:ILE194 4.6 14.9 1.0 CG2 B:VAL195 4.6 16.3 1.0 CD1 B:TYR366 4.6 13.2 1.0 CG B:PRO367 4.6 15.2 1.0 CA B:TYR366 4.7 12.8 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Beta-Glycosides-Binding Protein (E117A) of Abc Transporter in An Open State


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 (E117A) of Abc Transporter in An Open State within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:19.2 occ:1.00 O B:HOH752 2.9 27.5 1.0 NH1 B:ARG99 3.3 25.4 1.0 N B:THR365 3.4 13.1 1.0 O B:THR365 3.6 13.1 1.0 CD B:ARG99 3.7 21.2 1.0 CA B:ALA96 3.7 11.8 1.0 CB B:ALA96 3.8 11.8 1.0 CA B:ARG364 3.9 13.6 1.0 CG B:ARG364 3.9 15.0 1.0 C B:ARG364 4.1 13.2 1.0 CG2 B:THR365 4.2 14.6 1.0 CZ B:ARG99 4.3 24.1 1.0 CA B:THR365 4.4 13.7 1.0 CB B:ARG364 4.4 14.2 1.0 NE B:ARG99 4.4 22.2 1.0 C B:THR365 4.4 12.9 1.0 N B:ALA96 4.5 12.0 1.0 O B:GLY363 4.7 14.2 1.0 CB B:THR365 4.8 14.5 1.0 O B:HOH732 4.8 12.4 1.0 C B:ALA96 4.9 11.9 1.0 CB B:ARG99 4.9 18.1 1.0 CG B:ARG99 4.9 19.8 1.0 O B:ALA96 4.9 12.3 1.0 CD B:ARG364 4.9 15.4 1.0 O B:PRO95 4.9 12.3 1.0 C B:PRO95 5.0 12.4 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