Chlorine in PDB 7c6z: Crystal Structure of Beta-Glycosides-Binding Protein (W67A) of Abc Transporter in An Open State

The structure of Crystal Structure of Beta-Glycosides-Binding Protein (W67A) of Abc Transporter in An Open State, PDB code: 7c6z 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)	48.90 / 1.63
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	55.260, 97.790, 66.610, 90.00, 103.42, 90.00
R / Rfree (%)	15.8 / 19.6

The binding sites of Chlorine atom in the Crystal Structure of Beta-Glycosides-Binding Protein (W67A) of Abc Transporter in An Open State (pdb code 7c6z). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Beta-Glycosides-Binding Protein (W67A) of Abc Transporter in An Open State, PDB code: 7c6z:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Beta-Glycosides-Binding Protein (W67A) 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 (W67A) of Abc Transporter in An Open State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:14.6 occ:1.00 O A:HOH900 3.0 33.9 1.0 N A:ILE194 3.2 13.1 1.0 NE1 A:TRP188 3.3 9.9 1.0 CD1 A:ILE194 3.3 20.1 1.0 O A:HOH741 3.3 11.6 1.0 CD A:PRO367 3.7 11.9 1.0 CB A:ILE194 3.9 14.5 1.0 CB A:GLU193 3.9 16.5 1.0 N A:VAL195 4.1 12.8 1.0 CA A:ILE194 4.1 13.9 1.0 CE2 A:TRP188 4.1 9.2 1.0 CA A:GLU193 4.1 14.0 1.0 CZ2 A:TRP188 4.1 9.8 1.0 C A:GLU193 4.1 13.7 1.0 CG1 A:ILE194 4.1 16.9 1.0 CD1 A:TYR366 4.4 9.7 1.0 CD1 A:TRP188 4.4 9.7 1.0 O A:VAL195 4.4 14.4 1.0 CA A:TYR366 4.5 9.9 1.0 CG A:PRO367 4.5 13.2 1.0 C A:ILE194 4.6 13.2 1.0 CG2 A:VAL195 4.7 13.5 1.0 NH2 A:ARG364 4.8 13.1 1.0 N A:PRO367 4.9 11.1 1.0 O A:THR365 5.0 11.9 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Beta-Glycosides-Binding Protein (W67A) 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 (W67A) of Abc Transporter in An Open State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:17.4 occ:1.00 O A:HOH948 3.1 17.5 1.0 O A:HOH926 3.1 31.5 1.0 O A:HOH937 3.1 23.8 1.0 N A:THR365 3.3 10.5 1.0 NH1 A:ARG99 3.5 20.6 1.0 O A:THR365 3.6 11.9 1.0 CA A:ALA96 3.7 10.6 1.0 CB A:ALA96 3.7 9.9 1.0 CA A:ARG364 3.9 9.5 1.0 CG A:ARG364 3.9 9.8 1.0 CD A:ARG99 3.9 18.5 1.0 C A:ARG364 4.1 9.9 1.0 CA A:THR365 4.3 12.0 1.0 N A:ALA96 4.4 10.6 1.0 C A:THR365 4.4 11.2 1.0 CB A:ARG364 4.4 10.0 1.0 CG2 A:THR365 4.4 15.2 1.0 CZ A:ARG99 4.4 19.9 1.0 NE A:ARG99 4.6 20.3 1.0 O A:HOH741 4.6 11.6 1.0 O A:HOH961 4.7 28.8 1.0 C A:ALA96 4.8 10.9 1.0 O A:ALA96 4.8 11.0 1.0 CB A:THR365 4.8 14.3 1.0 O A:HOH711 4.9 12.4 1.0 CB A:ARG99 4.9 15.0 1.0 CD A:ARG364 4.9 10.6 1.0 O A:GLY363 4.9 10.4 1.0 CG A:ARG99 5.0 18.1 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Beta-Glycosides-Binding Protein (W67A) 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 (W67A) of Abc Transporter in An Open State within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:15.1 occ:1.00 NE1 B:TRP188 3.3 9.2 1.0 N B:ILE194 3.3 13.9 1.0 O B:HOH648 3.3 18.6 1.0 CD1 B:ILE194 3.8 22.5 1.0 CD B:PRO367 3.8 12.2 1.0 CB B:GLU193 3.8 20.4 1.0 CB B:ILE194 4.0 16.4 1.0 CE2 B:TRP188 4.1 9.4 1.0 CA B:GLU193 4.1 16.2 1.0 CA B:ILE194 4.1 14.5 1.0 C B:GLU193 4.1 15.1 1.0 N B:VAL195 4.1 14.2 1.0 CZ2 B:TRP188 4.2 9.4 1.0 O B:VAL195 4.3 16.9 1.0 CD1 B:TRP188 4.3 9.6 1.0 CD1 B:TYR366 4.4 11.4 1.0 CG1 B:ILE194 4.4 18.6 1.0 CG B:PRO367 4.6 12.8 1.0 CA B:TYR366 4.7 11.4 1.0 C B:ILE194 4.7 13.9 1.0 CG2 B:VAL195 4.7 14.9 1.0 NH2 B:ARG364 4.8 14.9 1.0 N B:PRO367 5.0 11.8 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Beta-Glycosides-Binding Protein (W67A) 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 4 of Crystal Structure of Beta-Glycosides-Binding Protein (W67A) of Abc Transporter in An Open State within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:18.2 occ:1.00 O B:HOH925 3.0 22.8 1.0 O B:HOH956 3.2 35.2 1.0 N B:THR365 3.3 11.8 1.0 NH1 B:ARG99 3.4 21.1 1.0 O B:THR365 3.7 12.8 1.0 CA B:ARG364 3.8 10.4 1.0 CD B:ARG99 3.8 17.2 1.0 CA B:ALA96 3.8 11.4 1.0 CB B:ALA96 3.8 11.9 1.0 CG B:ARG364 3.9 11.6 1.0 C B:ARG364 4.1 10.7 1.0 CG2 B:THR365 4.1 14.8 1.0 CA B:THR365 4.3 12.4 1.0 CB B:ARG364 4.3 11.1 1.0 CZ B:ARG99 4.4 19.2 1.0 C B:THR365 4.4 12.0 1.0 NE B:ARG99 4.5 18.8 1.0 N B:ALA96 4.5 11.8 1.0 O B:GLY363 4.7 10.8 1.0 CB B:THR365 4.7 14.1 1.0 O B:HOH648 4.7 18.6 1.0 CB B:ARG99 4.8 14.5 1.0 O B:HOH966 4.9 34.7 1.0 CG B:ARG99 4.9 16.2 1.0 O B:ALA96 4.9 11.0 1.0 C B:ALA96 4.9 11.1 1.0 N B:ARG364 5.0 10.0 1.0 O B:HOH986 5.0 36.4 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