Chlorine in PDB 7c69: Crystal Structure of Beta-Glycosides-Binding Protein of Abc Transporter in A Closed State Bound to Sophorose

The structure of Crystal Structure of Beta-Glycosides-Binding Protein of Abc Transporter in A Closed State Bound to Sophorose, PDB code: 7c69 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)	55.06 / 2.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.790, 108.930, 109.990, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 26.2

The binding sites of Chlorine atom in the Crystal Structure of Beta-Glycosides-Binding Protein of Abc Transporter in A Closed State Bound to Sophorose (pdb code 7c69). 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 of Abc Transporter in A Closed State Bound to Sophorose, PDB code: 7c69:
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 of Abc Transporter in A Closed State Bound to Sophorose


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 Sophorose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:16.6 occ:1.00 O A:HOH622 3.0 13.8 1.0 N A:ILE194 3.3 19.0 1.0 NE1 A:TRP188 3.4 17.6 1.0 CG1 A:ILE194 3.7 16.9 1.0 CB A:ILE194 3.7 17.1 1.0 CB A:GLU193 3.7 25.5 1.0 N A:VAL195 4.0 18.4 1.0 CA A:ILE194 4.0 18.0 1.0 CA A:GLU193 4.1 22.5 1.0 CZ2 A:TRP188 4.1 17.2 1.0 CE2 A:TRP188 4.1 17.3 1.0 C A:GLU193 4.2 20.9 1.0 CD1 A:TYR366 4.3 14.7 1.0 CG A:GLU193 4.3 28.7 1.0 O A:VAL195 4.3 20.5 1.0 CD1 A:TRP188 4.5 17.9 1.0 CG2 A:VAL195 4.5 18.3 1.0 CD A:PRO367 4.5 17.4 1.0 C A:ILE194 4.6 17.8 1.0 NH2 A:ARG364 4.7 21.9 1.0 O A:THR365 4.8 19.1 1.0 CA A:TYR366 4.8 16.4 1.0 NE A:ARG364 4.9 21.3 1.0 CE1 A:TYR366 4.9 14.6 1.0 CD1 A:ILE194 5.0 16.9 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Beta-Glycosides-Binding Protein of Abc Transporter in A Closed State Bound to Sophorose


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 Sophorose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:44.7 occ:1.00 NH2 A:ARG99 3.3 26.1 1.0 O A:HOH705 3.8 18.2 1.0 NH1 A:ARG99 3.9 24.7 1.0 CZ A:ARG99 4.1 25.3 1.0 CB A:PRO95 4.7 25.8 1.0 CB A:ALA96 4.9 22.4 1.0 N A:ALA96 4.9 22.2 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Beta-Glycosides-Binding Protein of Abc Transporter in A Closed State Bound to Sophorose


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 Sophorose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:24.4 occ:1.00 O B:HOH644 3.0 27.0 1.0 N B:ILE194 3.3 21.1 1.0 NE1 B:TRP188 3.4 18.1 1.0 CB B:ILE194 3.7 21.1 1.0 CG1 B:ILE194 3.8 20.4 1.0 CB B:GLU193 3.8 23.5 1.0 N B:VAL195 3.9 23.3 1.0 CA B:ILE194 4.0 21.4 1.0 CE2 B:TRP188 4.1 17.2 1.0 CA B:GLU193 4.1 21.6 1.0 CZ2 B:TRP188 4.2 17.0 1.0 CD1 B:TYR366 4.2 22.2 1.0 C B:GLU193 4.2 22.0 1.0 O B:VAL195 4.3 26.0 1.0 CD B:PRO367 4.3 24.4 1.0 CG B:GLU193 4.4 25.2 1.0 CG2 B:VAL195 4.5 22.0 1.0 CD1 B:TRP188 4.5 17.8 1.0 C B:ILE194 4.5 22.4 1.0 CA B:TYR366 4.8 23.2 1.0 CE1 B:TYR366 4.9 21.5 1.0 NH2 B:ARG364 4.9 27.9 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Beta-Glycosides-Binding Protein of Abc Transporter in A Closed State Bound to Sophorose


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 of Abc Transporter in A Closed State Bound to Sophorose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:36.1 occ:1.00 O B:HOH719 2.9 18.9 1.0 O B:HOH680 3.0 30.1 1.0 C B:GLN14 3.4 27.9 1.0 N B:GLU17 3.5 25.9 1.0 N B:ALA16 3.5 23.3 1.0 CB B:GLN14 3.6 30.0 1.0 CA B:GLN14 3.6 28.4 1.0 CB B:GLU17 3.7 30.3 1.0 N B:PRO15 3.7 26.1 1.0 O B:GLN14 3.8 28.7 1.0 CB B:ALA16 3.8 24.2 1.0 CD B:PRO15 4.0 25.2 1.0 CA B:ALA16 4.1 24.3 1.0 CA B:GLU17 4.3 27.7 1.0 C B:ALA16 4.3 25.0 1.0 C B:PRO15 4.4 22.9 1.0 CG B:GLN14 4.5 31.2 1.0 CA B:PRO15 4.6 23.8 1.0 OE2 B:GLU17 4.7 37.1 1.0 CG B:GLU17 4.9 33.8 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