Chlorine in PDB 7c6j: Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in A Closed State Bound to Cellobiose

The structure of Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in A Closed State Bound to Cellobiose, PDB code: 7c6j 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)	55.72 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.900, 100.250, 134.050, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 23.7

The binding sites of Chlorine atom in the Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in A Closed State Bound to Cellobiose (pdb code 7c6j). 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 Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in A Closed State Bound to Cellobiose, PDB code: 7c6j:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in A Closed State Bound to Cellobiose


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 (W177X) of Abc Transporter in A Closed State Bound to Cellobiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:34.4 occ:1.00 O A:HOH751 3.1 24.3 1.0 N A:ILE193 3.2 21.1 1.0 NE1 A:TRP187 3.4 18.4 1.0 CB A:ILE193 3.8 22.9 1.0 N A:VAL194 3.9 20.8 1.0 O A:VAL194 4.0 23.7 1.0 CA A:ILE193 4.0 22.1 1.0 CA A:GLU192 4.0 23.0 1.0 C A:GLU192 4.0 21.9 1.0 CB A:GLU192 4.1 27.1 1.0 CG1 A:ILE193 4.1 23.9 1.0 CE2 A:TRP187 4.2 17.7 1.0 CD1 A:ILE193 4.2 23.9 1.0 CZ2 A:TRP187 4.2 17.7 1.0 CD A:PRO366 4.5 26.1 1.0 CD1 A:TRP187 4.5 18.3 1.0 C A:ILE193 4.5 21.8 1.0 NH2 A:ARG363 4.5 26.9 1.0 CG A:GLU192 4.5 32.6 1.0 CG2 A:VAL194 4.7 21.5 1.0 CD1 A:TYR365 4.9 25.6 1.0 C A:VAL194 4.9 24.5 1.0 CA A:VAL194 5.0 22.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Beta-Glycosides-Binding Protein (W177X) of Abc Transporter in A Closed State Bound to Cellobiose


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 (W177X) of Abc Transporter in A Closed State Bound to Cellobiose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:32.8 occ:1.00 O B:HOH647 3.0 30.8 1.0 N B:ILE193 3.4 30.0 1.0 NE1 B:TRP187 3.4 25.8 1.0 CB B:ILE193 3.9 29.4 1.0 CD B:PRO366 4.0 29.4 1.0 CB B:GLU192 4.0 34.7 1.0 CD1 B:ILE193 4.0 28.7 1.0 N B:VAL194 4.1 33.0 1.0 CA B:ILE193 4.2 30.2 1.0 CG1 B:ILE193 4.2 29.0 1.0 CE2 B:TRP187 4.2 25.9 1.0 CA B:GLU192 4.2 32.2 1.0 CZ2 B:TRP187 4.2 24.3 1.0 O B:VAL194 4.3 38.0 1.0 C B:GLU192 4.3 31.4 1.0 NH2 B:ARG363 4.4 30.1 1.0 CD1 B:TRP187 4.5 26.6 1.0 C B:ILE193 4.7 31.5 1.0 CG2 B:VAL194 4.7 33.8 1.0 CG B:PRO366 4.8 30.4 1.0 CD1 B:TYR365 4.8 29.2 1.0 O B:THR364 4.9 26.8 1.0 NE B:ARG363 4.9 27.5 1.0 CA B:TYR365 5.0 27.9 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